2,3-dimethylundecan-4-ol

C13H28O — CID 115783082

IUPAC2,3-dimethylundecan-4-ol
SMILESCCCCCCCC(O)C(C)C(C)C
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-13(14)12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHFKIVBCLTUHFGZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds8

About 2,3-dimethylundecan-4-ol

2,3-dimethylundecan-4-ol (PubChem CID 115783082) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,3-dimethylundecan-4-ol.

Molecular Properties

Compound Name2,3-dimethylundecan-4-ol
PubChem CID115783082
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,3-dimethylundecan-4-ol
SMILESCCCCCCCC(O)C(C)C(C)C
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-13(14)12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHFKIVBCLTUHFGZ-UHFFFAOYSA-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

2,3,10-trimethylundecan-4-ol
CID 156689827
nonacosane-14,15-diol
CID 91509633
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
2-methyldodecane-3,4-diol
CID 103456553
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
heptadecane-2,5,6-triol
CID 90443080
icosane-2,5,6-triol
CID 90443113

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylundecan-4-ol?
The IUPAC name of 2,3-dimethylundecan-4-ol (CID 115783082) is 2,3-dimethylundecan-4-ol.
What is the SMILES notation for 2,3-dimethylundecan-4-ol?
The canonical SMILES for 2,3-dimethylundecan-4-ol is CCCCCCCC(O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethylundecan-4-ol?
The InChIKey is HFKIVBCLTUHFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-6-7-8-9-10-13(14)12(4)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethylundecan-4-ol?
2,3-dimethylundecan-4-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 2,3-dimethylundecan-4-ol is sourced from PubChem (CID 115783082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).