6-methyl-2-(2-methylpropyl)heptane-1,2-diol

C12H26O2 — CID 171442388

IUPAC6-methyl-2-(2-methylpropyl)heptane-1,2-diol
SMILESCC(C)CCCC(O)(CO)CC(C)C
InChIInChI=1S/C12H26O2/c1-10(2)6-5-7-12(14,9-13)8-11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyUMGDBQSAORKICY-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds7

About 6-methyl-2-(2-methylpropyl)heptane-1,2-diol

6-methyl-2-(2-methylpropyl)heptane-1,2-diol (PubChem CID 171442388) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)heptane-1,2-diol.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)heptane-1,2-diol
PubChem CID171442388
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name6-methyl-2-(2-methylpropyl)heptane-1,2-diol
SMILESCC(C)CCCC(O)(CO)CC(C)C
InChIInChI=1S/C12H26O2/c1-10(2)6-5-7-12(14,9-13)8-11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyUMGDBQSAORKICY-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-(2-methylpropyl)heptane-1,2-diol 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

10-methyl-4-propylundecan-4-ol
CID 156689332
2,2-bis(hydroxymethyl)-11-methyl-3-(8-methylnonyl)dodecane-1,3-diol;phosphorous acid
CID 159512974
8-methyl-2-sulfanylnonane-1,2-diol
CID 141006655
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
6,6-difluoro-2,10-dimethylundecane
CID 169289858
alumane;6-methylheptan-1-ol
CID 174615736
CID 172760633
CID 172760633

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)heptane-1,2-diol?
The IUPAC name of 6-methyl-2-(2-methylpropyl)heptane-1,2-diol (CID 171442388) is 6-methyl-2-(2-methylpropyl)heptane-1,2-diol.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)heptane-1,2-diol?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)heptane-1,2-diol is CC(C)CCCC(O)(CO)CC(C)C.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)heptane-1,2-diol?
The InChIKey is UMGDBQSAORKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-10(2)6-5-7-12(14,9-13)8-11(3)4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)heptane-1,2-diol?
6-methyl-2-(2-methylpropyl)heptane-1,2-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)heptane-1,2-diol is sourced from PubChem (CID 171442388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).