(3E)-hexa-3,5-dien-2-ol

C6H10O — CID 5363296

IUPAC(3E)-hexa-3,5-dien-2-ol
SMILESC=C/C=C/C(C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-7H,1H2,2H3/b5-4+
InChIKeyVAOJQRMYAXTUQI-SNAWJCMRSA-N
MW98.14 g/mol
LogP1.11
Rot. Bonds2

About (3E)-hexa-3,5-dien-2-ol

(3E)-hexa-3,5-dien-2-ol (PubChem CID 5363296) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (3E)-hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-hexa-3,5-dien-2-ol
PubChem CID5363296
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(3E)-hexa-3,5-dien-2-ol
SMILESC=C/C=C/C(C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-7H,1H2,2H3/b5-4+
InChIKeyVAOJQRMYAXTUQI-SNAWJCMRSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-hexa-3,5-dien-2-ol (CID 5363296) is (3E)-hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-hexa-3,5-dien-2-ol is C=C/C=C/C(C)O.
What is the InChIKey of (3E)-hexa-3,5-dien-2-ol?
The InChIKey is VAOJQRMYAXTUQI-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-7H,1H2,2H3/b5-4+.
What are the key properties of (3E)-hexa-3,5-dien-2-ol?
(3E)-hexa-3,5-dien-2-ol has a molecular weight of 98.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-hexa-3,5-dien-2-ol is sourced from PubChem (CID 5363296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).