(2S)-3,9-dimethylundecan-2-ol

C13H28O — CID 101151522

IUPAC(2S)-3,9-dimethylundecan-2-ol
SMILESCCC(C)CCCCCC(C)[C@H](C)O
InChIInChI=1S/C13H28O/c1-5-11(2)9-7-6-8-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11?,12?,13-/m0/s1
InChIKeyPVFUACZRCPEYAR-BPCQOVAHSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds8

About (2S)-3,9-dimethylundecan-2-ol

(2S)-3,9-dimethylundecan-2-ol (PubChem CID 101151522) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is (2S)-3,9-dimethylundecan-2-ol.

Molecular Properties

Compound Name(2S)-3,9-dimethylundecan-2-ol
PubChem CID101151522
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name(2S)-3,9-dimethylundecan-2-ol
SMILESCCC(C)CCCCCC(C)[C@H](C)O
InChIInChI=1S/C13H28O/c1-5-11(2)9-7-6-8-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11?,12?,13-/m0/s1
InChIKeyPVFUACZRCPEYAR-BPCQOVAHSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2,3,9-trimethylundecane
CID 57491510
3,4,11-trimethyltridecane
CID 123211760
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
3,4,5,9-tetramethylundecan-2-ol
CID 91616574
(2S,3R,7R)-3,7-dimethylundecan-2-ol
CID 15548643
(11S)-11-methyltridecan-1-ol
CID 71389600
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
(7S)-7-methylnonan-1-ol
CID 11105641

Frequently Asked Questions

What is the IUPAC name of (2S)-3,9-dimethylundecan-2-ol?
The IUPAC name of (2S)-3,9-dimethylundecan-2-ol (CID 101151522) is (2S)-3,9-dimethylundecan-2-ol.
What is the SMILES notation for (2S)-3,9-dimethylundecan-2-ol?
The canonical SMILES for (2S)-3,9-dimethylundecan-2-ol is CCC(C)CCCCCC(C)[C@H](C)O.
What is the InChIKey of (2S)-3,9-dimethylundecan-2-ol?
The InChIKey is PVFUACZRCPEYAR-BPCQOVAHSA-N. The full InChI is InChI=1S/C13H28O/c1-5-11(2)9-7-6-8-10-12(3)13(4)14/h11-14H,5-10H2,1-4H3/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-3,9-dimethylundecan-2-ol?
(2S)-3,9-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)-3,9-dimethylundecan-2-ol is sourced from PubChem (CID 101151522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).