(3R)-2,3-dimethylhex-5-en-3-ol

C8H16O — CID 59910936

IUPAC(3R)-2,3-dimethylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)C(C)C
InChIInChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyYGYJSFXFOXFEOD-MRVPVSSYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (3R)-2,3-dimethylhex-5-en-3-ol

(3R)-2,3-dimethylhex-5-en-3-ol (PubChem CID 59910936) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (3R)-2,3-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-2,3-dimethylhex-5-en-3-ol
PubChem CID59910936
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(3R)-2,3-dimethylhex-5-en-3-ol
SMILESC=CC[C@@](C)(O)C(C)C
InChIInChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyYGYJSFXFOXFEOD-MRVPVSSYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-2,3-dimethylhex-5-en-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

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylhex-5-en-3-ol?
The IUPAC name of (3R)-2,3-dimethylhex-5-en-3-ol (CID 59910936) is (3R)-2,3-dimethylhex-5-en-3-ol.
What is the SMILES notation for (3R)-2,3-dimethylhex-5-en-3-ol?
The canonical SMILES for (3R)-2,3-dimethylhex-5-en-3-ol is C=CC[C@@](C)(O)C(C)C.
What is the InChIKey of (3R)-2,3-dimethylhex-5-en-3-ol?
The InChIKey is YGYJSFXFOXFEOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1.
What are the key properties of (3R)-2,3-dimethylhex-5-en-3-ol?
(3R)-2,3-dimethylhex-5-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylhex-5-en-3-ol is sourced from PubChem (CID 59910936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).