7,9-dimethyldecan-3-ol

C12H26O — CID 156689495

IUPAC7,9-dimethyldecan-3-ol
SMILESCCC(O)CCCC(C)CC(C)C
InChIInChI=1S/C12H26O/c1-5-12(13)8-6-7-11(4)9-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyXKKVBJUHRVNWEM-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds7

About 7,9-dimethyldecan-3-ol

7,9-dimethyldecan-3-ol (PubChem CID 156689495) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 7,9-dimethyldecan-3-ol.

Molecular Properties

Compound Name7,9-dimethyldecan-3-ol
PubChem CID156689495
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name7,9-dimethyldecan-3-ol
SMILESCCC(O)CCCC(C)CC(C)C
InChIInChI=1S/C12H26O/c1-5-12(13)8-6-7-11(4)9-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyXKKVBJUHRVNWEM-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

Analyze 7,9-dimethyldecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methylnonan-3-ol
CID 64515833
5,9-dimethyldecan-3-ol
CID 545842
nonane-3,7-diol
CID 22141483
2,13-dimethylpentadecan-4-ol
CID 176880167
(3R)-10-methylundecan-3-ol
CID 164999222
2,4,8-trimethyloctacosane
CID 91751081
2,4,6,10-tetramethyltetradecane
CID 123234776
2,4,6,12-tetramethylheptadecan-9-ol
CID 140668394
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
2,4-dimethyloctane;ethene
CID 156719555
decane-3,4,8-triol
CID 57273849

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyldecan-3-ol?
The IUPAC name of 7,9-dimethyldecan-3-ol (CID 156689495) is 7,9-dimethyldecan-3-ol.
What is the SMILES notation for 7,9-dimethyldecan-3-ol?
The canonical SMILES for 7,9-dimethyldecan-3-ol is CCC(O)CCCC(C)CC(C)C.
What is the InChIKey of 7,9-dimethyldecan-3-ol?
The InChIKey is XKKVBJUHRVNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-12(13)8-6-7-11(4)9-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 7,9-dimethyldecan-3-ol?
7,9-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 7,9-dimethyldecan-3-ol is sourced from PubChem (CID 156689495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).