5,9-dimethyldecan-3-ol

C12H26O — CID 545842

IUPAC5,9-dimethyldecan-3-ol
SMILESCCC(O)CC(C)CCCC(C)C
InChIInChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyIAMDHPUVYSKJSO-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds7

About 5,9-dimethyldecan-3-ol

5,9-dimethyldecan-3-ol (PubChem CID 545842) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5,9-dimethyldecan-3-ol.

Molecular Properties

Compound Name5,9-dimethyldecan-3-ol
PubChem CID545842
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5,9-dimethyldecan-3-ol
SMILESCCC(O)CC(C)CCCC(C)C
InChIInChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyIAMDHPUVYSKJSO-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,9-dimethyldecan-3-ol
CID 156689495
(2R,4R,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474927
(2R,4S,6R)-2-iodo-6,10-dimethylundecan-4-ol
CID 102474928
5-methyloctan-3-ol
CID 19931017
8-(dimethylamino)-5-methyloctan-3-ol
CID 89245449
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(3R)-10-methylundecan-3-ol
CID 164999222
7-methylnonan-3-ol
CID 64515833
11-ethyl-2,6,9-trimethyltridecane
CID 123326718
2,7,11-trimethyldodecan-4-ol
CID 162406276
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
magnesium;2,6-dimethyloctane;dibromide
CID 175146229

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldecan-3-ol?
The IUPAC name of 5,9-dimethyldecan-3-ol (CID 545842) is 5,9-dimethyldecan-3-ol.
What is the SMILES notation for 5,9-dimethyldecan-3-ol?
The canonical SMILES for 5,9-dimethyldecan-3-ol is CCC(O)CC(C)CCCC(C)C.
What is the InChIKey of 5,9-dimethyldecan-3-ol?
The InChIKey is IAMDHPUVYSKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-12(13)9-11(4)8-6-7-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 5,9-dimethyldecan-3-ol?
5,9-dimethyldecan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyldecan-3-ol is sourced from PubChem (CID 545842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).