(1S)-3-methylcyclopentadecan-1-ol

C16H32O — CID 177450802

IUPAC(1S)-3-methylcyclopentadecan-1-ol
SMILESCC1CCCCCCCCCCCC[C@H](O)C1
InChIInChI=1S/C16H32O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15-17H,2-14H2,1H3/t15?,16-/m0/s1
InChIKeyGVPGXFIINYYZAR-LYKKTTPLSA-N
MW240.43 g/mol
LogP5.07
Rot. Bonds

About (1S)-3-methylcyclopentadecan-1-ol

(1S)-3-methylcyclopentadecan-1-ol (PubChem CID 177450802) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (1S)-3-methylcyclopentadecan-1-ol.

Molecular Properties

Compound Name(1S)-3-methylcyclopentadecan-1-ol
PubChem CID177450802
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(1S)-3-methylcyclopentadecan-1-ol
SMILESCC1CCCCCCCCCCCC[C@H](O)C1
InChIInChI=1S/C16H32O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15-17H,2-14H2,1H3/t15?,16-/m0/s1
InChIKeyGVPGXFIINYYZAR-LYKKTTPLSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylcyclononan-1-ol
CID 143603449
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
methanamine;3-methylcyclohexan-1-ol
CID 174923816
acetic acid;trans-(1S,3S)-3-methylcycloheptan-1-ol
CID 71423393
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
3-methylcyclopentan-1-ol;yttrium
CID 178142170
1,3,5-trimethylcyclododecane
CID 123355776
cyclohexanol;methanol
CID 18353815
cyclohexane;methylcyclopentane
CID 20788572
cyclohexanol;cyclooctanol
CID 22461579

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methylcyclopentadecan-1-ol?
The IUPAC name of (1S)-3-methylcyclopentadecan-1-ol (CID 177450802) is (1S)-3-methylcyclopentadecan-1-ol.
What is the SMILES notation for (1S)-3-methylcyclopentadecan-1-ol?
The canonical SMILES for (1S)-3-methylcyclopentadecan-1-ol is CC1CCCCCCCCCCCC[C@H](O)C1.
What is the InChIKey of (1S)-3-methylcyclopentadecan-1-ol?
The InChIKey is GVPGXFIINYYZAR-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H32O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15-17H,2-14H2,1H3/t15?,16-/m0/s1.
What are the key properties of (1S)-3-methylcyclopentadecan-1-ol?
(1S)-3-methylcyclopentadecan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 5.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methylcyclopentadecan-1-ol is sourced from PubChem (CID 177450802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).