(2S,6S)-6,10-dimethylundecan-2-ol

C13H28O — CID 92938997

IUPAC(2S,6S)-6,10-dimethylundecan-2-ol
SMILESCC(C)CCC[C@H](C)CCC[C@H](C)O
InChIInChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyGNJORAZPXCKMSY-STQMWFEESA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds8

About (2S,6S)-6,10-dimethylundecan-2-ol

(2S,6S)-6,10-dimethylundecan-2-ol (PubChem CID 92938997) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S,6S)-6,10-dimethylundecan-2-ol.

Molecular Properties

Compound Name(2S,6S)-6,10-dimethylundecan-2-ol
PubChem CID92938997
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name(2S,6S)-6,10-dimethylundecan-2-ol
SMILESCC(C)CCC[C@H](C)CCC[C@H](C)O
InChIInChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyGNJORAZPXCKMSY-STQMWFEESA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88681561
6-methylnonan-2-ol
CID 19931334
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3,7,11,15,18,22,26-heptamethylhentriacontane-1,30-diol
CID 163028107
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
3,7-dimethyloctan-1-ol
CID 7792
2,7,11-trimethyldodecan-4-ol
CID 162406276
N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
propane-1,2-diol;3,7,11,15-tetramethylhexadecane-1,1,1-triol
CID 174613323
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6,10-dimethylundecan-2-ol?
The IUPAC name of (2S,6S)-6,10-dimethylundecan-2-ol (CID 92938997) is (2S,6S)-6,10-dimethylundecan-2-ol.
What is the SMILES notation for (2S,6S)-6,10-dimethylundecan-2-ol?
The canonical SMILES for (2S,6S)-6,10-dimethylundecan-2-ol is CC(C)CCC[C@H](C)CCC[C@H](C)O.
What is the InChIKey of (2S,6S)-6,10-dimethylundecan-2-ol?
The InChIKey is GNJORAZPXCKMSY-STQMWFEESA-N. The full InChI is InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-6,10-dimethylundecan-2-ol?
(2S,6S)-6,10-dimethylundecan-2-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6,10-dimethylundecan-2-ol is sourced from PubChem (CID 92938997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).