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41678-36-8 molecular structure
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3,7-dimethyloct-1-en-2-ol

ChemBase ID: 109119
Molecular Formular: C10H20O
Molecular Mass: 156.2652
Monoisotopic Mass: 156.15141526
SMILES and InChIs

SMILES:
CC(C)CCCC(C)C(=C)O
Canonical SMILES:
CC(CCCC(C(=C)O)C)C
InChI:
InChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h8-9,11H,4-7H2,1-3H3
InChIKey:
WZRRRLLETLZJGO-UHFFFAOYSA-N

Cite this record

CBID:109119 http://www.chembase.cn/molecule-109119.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,7-dimethyloct-1-en-2-ol
IUPAC Traditional name
3,7-dimethyloct-1-en-2-ol
Synonyms
TETRAHYDRO ALLO OCIMENOL
CAS Number
41678-36-8
PubChem SID
162094669
PubChem CID
162479

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05209915 external link Add to cart Please log in.
Data Source Data ID
PubChem 162479 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.207677  H Acceptors
H Donor LogD (pH = 5.5) 3.541524 
LogD (pH = 7.4) 3.5414572  Log P 3.541525 
Molar Refractivity 49.7208 cm3 Polarizability 19.548393 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05209915 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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