(2R)-3-hexyl-2-methyldecane-1,2-diol

C17H36O2 — CID 135254378

IUPAC(2R)-3-hexyl-2-methyldecane-1,2-diol
SMILESCCCCCCCC(CCCCCC)[C@@](C)(O)CO
InChIInChI=1S/C17H36O2/c1-4-6-8-10-12-14-16(17(3,19)15-18)13-11-9-7-5-2/h16,18-19H,4-15H2,1-3H3/t16?,17-/m0/s1
InChIKeyJMJCATDGOVTMBI-DJNXLDHESA-N
MW272.47 g/mol
LogP4.68
Rot. Bonds13

About (2R)-3-hexyl-2-methyldecane-1,2-diol

(2R)-3-hexyl-2-methyldecane-1,2-diol (PubChem CID 135254378) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is (2R)-3-hexyl-2-methyldecane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-hexyl-2-methyldecane-1,2-diol
PubChem CID135254378
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name(2R)-3-hexyl-2-methyldecane-1,2-diol
SMILESCCCCCCCC(CCCCCC)[C@@](C)(O)CO
InChIInChI=1S/C17H36O2/c1-4-6-8-10-12-14-16(17(3,19)15-18)13-11-9-7-5-2/h16,18-19H,4-15H2,1-3H3/t16?,17-/m0/s1
InChIKeyJMJCATDGOVTMBI-DJNXLDHESA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-3-hexyl-2-methyldecane-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

2-hexyl-3-methylbutane-1,3-diol
CID 174875016
2,2-bis(hydroxymethyl)-3-nonadecan-10-yl-4-nonyltridecane-1,3-diol
CID 142633562
3-ethyl-2-methylundecan-2-ol
CID 91236413
2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid
CID 137365006
9-tert-butylhenicosane
CID 150708915
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
4-hexyl-2-methyl-3-propan-2-yldodecan-3-ol
CID 170161295
4-heptyl-2-methyl-3-propan-2-yldocosan-3-ol
CID 150620185
6-tert-butylundecane
CID 90714582
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
3-hexyl-2-methylundecan-2-amine
CID 89005835

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hexyl-2-methyldecane-1,2-diol?
The IUPAC name of (2R)-3-hexyl-2-methyldecane-1,2-diol (CID 135254378) is (2R)-3-hexyl-2-methyldecane-1,2-diol.
What is the SMILES notation for (2R)-3-hexyl-2-methyldecane-1,2-diol?
The canonical SMILES for (2R)-3-hexyl-2-methyldecane-1,2-diol is CCCCCCCC(CCCCCC)[C@@](C)(O)CO.
What is the InChIKey of (2R)-3-hexyl-2-methyldecane-1,2-diol?
The InChIKey is JMJCATDGOVTMBI-DJNXLDHESA-N. The full InChI is InChI=1S/C17H36O2/c1-4-6-8-10-12-14-16(17(3,19)15-18)13-11-9-7-5-2/h16,18-19H,4-15H2,1-3H3/t16?,17-/m0/s1.
What are the key properties of (2R)-3-hexyl-2-methyldecane-1,2-diol?
(2R)-3-hexyl-2-methyldecane-1,2-diol has a molecular weight of 272.47 g/mol, XLogP of 4.68, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hexyl-2-methyldecane-1,2-diol is sourced from PubChem (CID 135254378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).