(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol

C16H30O2 — CID 139068492

IUPAC(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol
SMILESOC[C@@]12CCCCCCCCC[C@H](CCC1)[C@@H]2O
InChIInChI=1S/C16H30O2/c17-13-16-11-7-5-3-1-2-4-6-9-14(15(16)18)10-8-12-16/h14-15,17-18H,1-13H2/t14-,15+,16-/m1/s1
InChIKeyCRZBPRDJNBFSSQ-OWCLPIDISA-N
MW254.41 g/mol
LogP3.65
Rot. Bonds1

About (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol

(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol (PubChem CID 139068492) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol.

Molecular Properties

Compound Name(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol
PubChem CID139068492
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol
SMILESOC[C@@]12CCCCCCCCC[C@H](CCC1)[C@@H]2O
InChIInChI=1S/C16H30O2/c17-13-16-11-7-5-3-1-2-4-6-9-14(15(16)18)10-8-12-16/h14-15,17-18H,1-13H2/t14-,15+,16-/m1/s1
InChIKeyCRZBPRDJNBFSSQ-OWCLPIDISA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131096610
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CID 85373343
[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
CID 124667692
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
[1-(1,3-dioxolan-2-yl)cyclopentyl]methanol
CID 15324211
(3aS,6aS)-6a-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-ol
CID 131201463
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ylmethanol
CID 75193259
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
[(3aR,7aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol;hydrochloride
CID 55282198
2-[1-(hydroxymethyl)cyclohexyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 62520018
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342

Frequently Asked Questions

What is the IUPAC name of (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol?
The IUPAC name of (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol (CID 139068492) is (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol.
What is the SMILES notation for (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol?
The canonical SMILES for (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol is OC[C@@]12CCCCCCCCC[C@H](CCC1)[C@@H]2O.
What is the InChIKey of (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol?
The InChIKey is CRZBPRDJNBFSSQ-OWCLPIDISA-N. The full InChI is InChI=1S/C16H30O2/c17-13-16-11-7-5-3-1-2-4-6-9-14(15(16)18)10-8-12-16/h14-15,17-18H,1-13H2/t14-,15+,16-/m1/s1.
What are the key properties of (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol?
(1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol has a molecular weight of 254.41 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,15S)-1-(hydroxymethyl)bicyclo[9.3.1]pentadecan-15-ol is sourced from PubChem (CID 139068492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).