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14774-37-9 molecular structure
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oxan-4-ylmethanol

ChemBase ID: 34338
Molecular Formular: C6H12O2
Molecular Mass: 116.15828
Monoisotopic Mass: 116.08372962
SMILES and InChIs

SMILES:
C1COCCC1CO
Canonical SMILES:
OCC1CCOCC1
InChI:
InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKey:
YSNVSVCWTBLLRW-UHFFFAOYSA-N

Cite this record

CBID:34338 http://www.chembase.cn/molecule-34338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxan-4-ylmethanol
(oxan-4-yl)methanol
IUPAC Traditional name
oxan-4-ylmethanol
Synonyms
Tetrahydro-2H-pyran-4-ylmethanol
(Tetrahydro-2H-pyran-4-yl)methanol
4-(Hydroxymethyl)tetrahydro-2H-pyran 97%
oxan-4-ylmethanol
Tetrahydropyran-4-methanol
CAS Number
14774-37-9
MDL Number
MFCD00457804
PubChem SID
160997645
PubChem CID
2773573

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.463619  H Acceptors
H Donor LogD (pH = 5.5) -0.096790224 
LogD (pH = 7.4) -0.096790224  Log P -0.096790224 
Molar Refractivity 31.5548 cm3 Polarizability 12.376324 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
111-115°C/15mm expand Show data source
Hydrophobicity(logP)
-0.513 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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