2,2,4-trimethylundecan-6-ol

C14H30O — CID 115784414

IUPAC2,2,4-trimethylundecan-6-ol
SMILESCCCCCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-6-7-8-9-13(15)10-12(2)11-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyDPXVELHSLSVOQQ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds7

About 2,2,4-trimethylundecan-6-ol

2,2,4-trimethylundecan-6-ol (PubChem CID 115784414) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,4-trimethylundecan-6-ol.

Molecular Properties

Compound Name2,2,4-trimethylundecan-6-ol
PubChem CID115784414
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,4-trimethylundecan-6-ol
SMILESCCCCCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-6-7-8-9-13(15)10-12(2)11-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyDPXVELHSLSVOQQ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
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

2,2,4,8-tetramethylundecan-6-ol
CID 115789018
2,2-dimethylundecan-4-ol
CID 59659891
2,2-dimethyltetradecan-4-ol
CID 59659889
8-ethyl-2,2,4-trimethyldodecan-6-ol
CID 19788763
3-methyltridecan-5-ol
CID 13025106
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
2-methylundecane-1,4-diol
CID 149251762
6,8,8-trimethyl-1-methylsulfonylnonan-4-ol
CID 115780204
(4S)-2-methylnonan-4-ol
CID 86308805
hexane;2,2,4-trimethyloctane
CID 174278610
2,2,3-trimethyltridecane-5,8-diol
CID 89287146

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylundecan-6-ol?
The IUPAC name of 2,2,4-trimethylundecan-6-ol (CID 115784414) is 2,2,4-trimethylundecan-6-ol.
What is the SMILES notation for 2,2,4-trimethylundecan-6-ol?
The canonical SMILES for 2,2,4-trimethylundecan-6-ol is CCCCCC(O)CC(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethylundecan-6-ol?
The InChIKey is DPXVELHSLSVOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-7-8-9-13(15)10-12(2)11-14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2,2,4-trimethylundecan-6-ol?
2,2,4-trimethylundecan-6-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylundecan-6-ol is sourced from PubChem (CID 115784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).