(3R)-hexa-1,5-dien-3-ol

C6H10O — CID 641013

IUPAC(3R)-hexa-1,5-dien-3-ol
SMILESC=CC[C@@H](O)C=C
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2/t6-/m0/s1
InChIKeySZYLTIUVWARXOO-LURJTMIESA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds3

About (3R)-hexa-1,5-dien-3-ol

(3R)-hexa-1,5-dien-3-ol (PubChem CID 641013) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (3R)-hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R)-hexa-1,5-dien-3-ol
PubChem CID641013
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(3R)-hexa-1,5-dien-3-ol
SMILESC=CC[C@@H](O)C=C
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2/t6-/m0/s1
InChIKeySZYLTIUVWARXOO-LURJTMIESA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-hexa-1,5-dien-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)-hexa-1,5-dien-3-ol?
The IUPAC name of (3R)-hexa-1,5-dien-3-ol (CID 641013) is (3R)-hexa-1,5-dien-3-ol.
What is the SMILES notation for (3R)-hexa-1,5-dien-3-ol?
The canonical SMILES for (3R)-hexa-1,5-dien-3-ol is C=CC[C@@H](O)C=C.
What is the InChIKey of (3R)-hexa-1,5-dien-3-ol?
The InChIKey is SZYLTIUVWARXOO-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2/t6-/m0/s1.
What are the key properties of (3R)-hexa-1,5-dien-3-ol?
(3R)-hexa-1,5-dien-3-ol has a molecular weight of 98.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-hexa-1,5-dien-3-ol is sourced from PubChem (CID 641013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).