(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol

C18H38O — CID 14550228

IUPAC(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)O
InChIInChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3/t16-,17-,18+/m1/s1
InChIKeyHTUZNQGPJMIELO-KURKYZTESA-N
MW270.50 g/mol
LogP5.81
Rot. Bonds12

About (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol

(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol (PubChem CID 14550228) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol.

Molecular Properties

Compound Name(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol
PubChem CID14550228
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)O
InChIInChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3/t16-,17-,18+/m1/s1
InChIKeyHTUZNQGPJMIELO-KURKYZTESA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol?
The IUPAC name of (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol (CID 14550228) is (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol.
What is the SMILES notation for (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol?
The canonical SMILES for (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)O.
What is the InChIKey of (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol?
The InChIKey is HTUZNQGPJMIELO-KURKYZTESA-N. The full InChI is InChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3/t16-,17-,18+/m1/s1.
What are the key properties of (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol?
(2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol has a molecular weight of 270.50 g/mol, XLogP of 5.81, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol is sourced from PubChem (CID 14550228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).