(11S)-11-methyltridecan-1-ol

C14H30O — CID 71389600

IUPAC(11S)-11-methyltridecan-1-ol
SMILESCC[C@H](C)CCCCCCCCCCO
InChIInChI=1S/C14H30O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyJUUOFNCQBGAUSU-AWEZNQCLSA-N
MW214.39 g/mol
LogP4.54
Rot. Bonds11

About (11S)-11-methyltridecan-1-ol

(11S)-11-methyltridecan-1-ol (PubChem CID 71389600) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is (11S)-11-methyltridecan-1-ol.

Molecular Properties

Compound Name(11S)-11-methyltridecan-1-ol
PubChem CID71389600
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name(11S)-11-methyltridecan-1-ol
SMILESCC[C@H](C)CCCCCCCCCCO
InChIInChI=1S/C14H30O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyJUUOFNCQBGAUSU-AWEZNQCLSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.54
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

(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
14-methylhexadecan-1-ol
CID 5283264
acetic acid;9-methylundecan-1-ol
CID 71407241
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4,7-dimethylnonan-1-ol
CID 87272409
8,12-dimethylicosane-1,20-diol
CID 170848864
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
7-methylpentadecan-1-ol
CID 18427312
10-methylhexadecan-1-ol
CID 10244159
6-methylhexadecan-1-ol
CID 22027437
(6S)-6-methyloctadecan-1-ol
CID 162994676

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyltridecan-1-ol?
The IUPAC name of (11S)-11-methyltridecan-1-ol (CID 71389600) is (11S)-11-methyltridecan-1-ol.
What is the SMILES notation for (11S)-11-methyltridecan-1-ol?
The canonical SMILES for (11S)-11-methyltridecan-1-ol is CC[C@H](C)CCCCCCCCCCO.
What is the InChIKey of (11S)-11-methyltridecan-1-ol?
The InChIKey is JUUOFNCQBGAUSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (11S)-11-methyltridecan-1-ol?
(11S)-11-methyltridecan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyltridecan-1-ol is sourced from PubChem (CID 71389600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).