-
(1R,2R,5R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-(propan-2-ylidene)pentacyclo[11.8.0.02,10.05,9.014,19]henicosane
-
ChemBase ID:
156363
-
Molecular Formular:
C30H50
-
Molecular Mass:
410.718
-
Monoisotopic Mass:
410.3912516
-
SMILES and InChIs
SMILES:
CC(=C1CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CCCC1(C)C)C)C)C)C)C
Canonical SMILES:
CC(=C1CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C)C
InChI:
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey:
CBZFLMNNXKRPHN-DRTOFSRZSA-N
-
Cite this record
CBID:156363 http://www.chembase.cn/molecule-156363.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(1R,2R,5R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-(propan-2-ylidene)pentacyclo[11.8.0.02,10.05,9.014,19]henicosane
|
|
|
IUPAC Traditional name
|
(1R,2R,5R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-(propan-2-ylidene)pentacyclo[11.8.0.02,10.05,9.014,19]henicosane
|
|
|
Synonyms
|
Hop-21(22)-ene solution
|
21(22)藿烯 溶液
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
LogD (pH = 5.5)
|
8.577266
|
LogD (pH = 7.4)
|
8.577266
|
Log P
|
8.577266
|
Molar Refractivity
|
130.1987 cm3
|
Polarizability
|
52.20391 Å3
|
Polar Surface Area
|
0.0 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
false
|
PATENTS
PATENTS
PubChem Patent
Google Patent