(3R)-2-methylhept-6-ene-2,3-diol

C8H16O2 — CID 15936667

IUPAC(3R)-2-methylhept-6-ene-2,3-diol
SMILESC=CCC[C@@H](O)C(C)(C)O
InChIInChI=1S/C8H16O2/c1-4-5-6-7(9)8(2,3)10/h4,7,9-10H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyPZDSKVHBSVLMPY-SSDOTTSWSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About (3R)-2-methylhept-6-ene-2,3-diol

(3R)-2-methylhept-6-ene-2,3-diol (PubChem CID 15936667) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R)-2-methylhept-6-ene-2,3-diol.

Molecular Properties

Compound Name(3R)-2-methylhept-6-ene-2,3-diol
PubChem CID15936667
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R)-2-methylhept-6-ene-2,3-diol
SMILESC=CCC[C@@H](O)C(C)(C)O
InChIInChI=1S/C8H16O2/c1-4-5-6-7(9)8(2,3)10/h4,7,9-10H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyPZDSKVHBSVLMPY-SSDOTTSWSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-2-methylhept-6-ene-2,3-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

(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
CID 11240729
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
2-Methyl-6-hepten-3-ol
CID 144868
7-Octene-2,3-diol, 2,6-dimethyl-
CID 3609265
(s)-2-Methyl-hept-6-ene-1,2-diol
CID 11062507
(3S,6S)-2,6-dimethyloct-7-ene-2,3-diol
CID 1764528
(2R,3S)-3-methylhept-6-en-2-ol
CID 10701856
2-Methyl-6-hepten-1,2-diol
CID 13976451

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methylhept-6-ene-2,3-diol?
The IUPAC name of (3R)-2-methylhept-6-ene-2,3-diol (CID 15936667) is (3R)-2-methylhept-6-ene-2,3-diol.
What is the SMILES notation for (3R)-2-methylhept-6-ene-2,3-diol?
The canonical SMILES for (3R)-2-methylhept-6-ene-2,3-diol is C=CCC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3R)-2-methylhept-6-ene-2,3-diol?
The InChIKey is PZDSKVHBSVLMPY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-7(9)8(2,3)10/h4,7,9-10H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of (3R)-2-methylhept-6-ene-2,3-diol?
(3R)-2-methylhept-6-ene-2,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methylhept-6-ene-2,3-diol is sourced from PubChem (CID 15936667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).