2,2-dimethylundecan-4-ol

C13H28O — CID 59659891

IUPAC2,2-dimethylundecan-4-ol
SMILESCCCCCCCC(O)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-12(14)11-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyWISURWXLOQKRFX-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.14
Rot. Bonds7

About 2,2-dimethylundecan-4-ol

2,2-dimethylundecan-4-ol (PubChem CID 59659891) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,2-dimethylundecan-4-ol.

Molecular Properties

Compound Name2,2-dimethylundecan-4-ol
PubChem CID59659891
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,2-dimethylundecan-4-ol
SMILESCCCCCCCC(O)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-5-6-7-8-9-10-12(14)11-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyWISURWXLOQKRFX-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.14
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

2,2-dimethyltetradecan-4-ol
CID 59659889
2-methyltridecane-2,4-diol
CID 90439736
octadecane-8,11-diol
CID 101412726
2,2-dimethyldodecan-6-ol
CID 175569881
1,1,1-trifluorododecan-3-ol
CID 62606550
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylundecan-4-ol?
The IUPAC name of 2,2-dimethylundecan-4-ol (CID 59659891) is 2,2-dimethylundecan-4-ol.
What is the SMILES notation for 2,2-dimethylundecan-4-ol?
The canonical SMILES for 2,2-dimethylundecan-4-ol is CCCCCCCC(O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethylundecan-4-ol?
The InChIKey is WISURWXLOQKRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-6-7-8-9-10-12(14)11-13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethylundecan-4-ol?
2,2-dimethylundecan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylundecan-4-ol is sourced from PubChem (CID 59659891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).