(2R,3S)-3-methylhept-6-en-2-ol

C8H16O — CID 10701856

IUPAC(2R,3S)-3-methylhept-6-en-2-ol
SMILESC[C@@H](CCC=C)[C@@H](C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyZEWJFQRAPALZPS-JGVFFNPUSA-N
MW128.21 g/mol
LogP2.20
Rot. Bonds4

About (2R,3S)-3-methylhept-6-en-2-ol

(2R,3S)-3-methylhept-6-en-2-ol (PubChem CID 10701856) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2R,3S)-3-methylhept-6-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methylhept-6-en-2-ol
PubChem CID10701856
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2R,3S)-3-methylhept-6-en-2-ol
SMILESC[C@@H](CCC=C)[C@@H](C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyZEWJFQRAPALZPS-JGVFFNPUSA-N
XLogP2.20
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity78

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-methylhept-6-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylhept-6-en-2-ol?
The IUPAC name of (2R,3S)-3-methylhept-6-en-2-ol (CID 10701856) is (2R,3S)-3-methylhept-6-en-2-ol.
What is the SMILES notation for (2R,3S)-3-methylhept-6-en-2-ol?
The canonical SMILES for (2R,3S)-3-methylhept-6-en-2-ol is C[C@@H](CCC=C)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-methylhept-6-en-2-ol?
The InChIKey is ZEWJFQRAPALZPS-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-methylhept-6-en-2-ol?
(2R,3S)-3-methylhept-6-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methylhept-6-en-2-ol is sourced from PubChem (CID 10701856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).