(2S,3R,7R)-3,7-dimethylundecan-2-ol

C13H28O — CID 15548643

IUPAC(2S,3R,7R)-3,7-dimethylundecan-2-ol
SMILESCCCC[C@@H](C)CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H28O/c1-5-6-8-11(2)9-7-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyMBAGMBOUGRRZPN-UPJWGTAASA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds8

About (2S,3R,7R)-3,7-dimethylundecan-2-ol

(2S,3R,7R)-3,7-dimethylundecan-2-ol (PubChem CID 15548643) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S,3R,7R)-3,7-dimethylundecan-2-ol.

Molecular Properties

Compound Name(2S,3R,7R)-3,7-dimethylundecan-2-ol
PubChem CID15548643
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name(2S,3R,7R)-3,7-dimethylundecan-2-ol
SMILESCCCC[C@@H](C)CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C13H28O/c1-5-6-8-11(2)9-7-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyMBAGMBOUGRRZPN-UPJWGTAASA-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

(2S,3S,7S)-3,7-dimethyltridecan-2-ol
CID 5283288
(2S,3R,7R)-3,7-dimethyltridecan-2-ol
CID 15981575
(2S,3R)-3,7-dimethyltridecan-2-ol
CID 11401930
butane;ethane;3-methylheptan-2-ol
CID 176696047
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
5,9,17-trimethylhenicosane
CID 123913465
(2S)-3,9-dimethylundecan-2-ol
CID 101151522
5,9-dimethyloctacosane
CID 86017569
5,9,13,23-tetramethylnonatriacontane
CID 6430646
5,9,13-trimethylnonatriacontane
CID 6430649
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
(2R)-3-methylhexan-2-ol
CID 88692749

Frequently Asked Questions

What is the IUPAC name of (2S,3R,7R)-3,7-dimethylundecan-2-ol?
The IUPAC name of (2S,3R,7R)-3,7-dimethylundecan-2-ol (CID 15548643) is (2S,3R,7R)-3,7-dimethylundecan-2-ol.
What is the SMILES notation for (2S,3R,7R)-3,7-dimethylundecan-2-ol?
The canonical SMILES for (2S,3R,7R)-3,7-dimethylundecan-2-ol is CCCC[C@@H](C)CCC[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R,7R)-3,7-dimethylundecan-2-ol?
The InChIKey is MBAGMBOUGRRZPN-UPJWGTAASA-N. The full InChI is InChI=1S/C13H28O/c1-5-6-8-11(2)9-7-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of (2S,3R,7R)-3,7-dimethylundecan-2-ol?
(2S,3R,7R)-3,7-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,3R,7R)-3,7-dimethylundecan-2-ol is sourced from PubChem (CID 15548643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).