2,7,11-trimethyldodecan-4-ol

C15H32O — CID 162406276

IUPAC2,7,11-trimethyldodecan-4-ol
SMILESCC(C)CCCC(C)CCC(O)CC(C)C
InChIInChI=1S/C15H32O/c1-12(2)7-6-8-14(5)9-10-15(16)11-13(3)4/h12-16H,6-11H2,1-5H3
InChIKeyJXXQESNEPHROFM-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.64
Rot. Bonds9

About 2,7,11-trimethyldodecan-4-ol

2,7,11-trimethyldodecan-4-ol (PubChem CID 162406276) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2,7,11-trimethyldodecan-4-ol.

Molecular Properties

Compound Name2,7,11-trimethyldodecan-4-ol
PubChem CID162406276
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2,7,11-trimethyldodecan-4-ol
SMILESCC(C)CCCC(C)CCC(O)CC(C)C
InChIInChI=1S/C15H32O/c1-12(2)7-6-8-14(5)9-10-15(16)11-13(3)4/h12-16H,6-11H2,1-5H3
InChIKeyJXXQESNEPHROFM-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
5,9-dimethyldecan-3-ol
CID 545842
2,13-dimethylpentadecan-4-ol
CID 176880167
3,7-dimethyloctan-1-ol
CID 7792
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915
2,4,6,12-tetramethylheptadecan-9-ol
CID 140668394
(2R,4R,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474927
(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474928
(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol
CID 102207655

Frequently Asked Questions

What is the IUPAC name of 2,7,11-trimethyldodecan-4-ol?
The IUPAC name of 2,7,11-trimethyldodecan-4-ol (CID 162406276) is 2,7,11-trimethyldodecan-4-ol.
What is the SMILES notation for 2,7,11-trimethyldodecan-4-ol?
The canonical SMILES for 2,7,11-trimethyldodecan-4-ol is CC(C)CCCC(C)CCC(O)CC(C)C.
What is the InChIKey of 2,7,11-trimethyldodecan-4-ol?
The InChIKey is JXXQESNEPHROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-12(2)7-6-8-14(5)9-10-15(16)11-13(3)4/h12-16H,6-11H2,1-5H3.
What are the key properties of 2,7,11-trimethyldodecan-4-ol?
2,7,11-trimethyldodecan-4-ol has a molecular weight of 228.42 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,11-trimethyldodecan-4-ol is sourced from PubChem (CID 162406276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).