(E)-3-ethenylhex-2-en-1-ol

C8H14O — CID 5364724

IUPAC(E)-3-ethenylhex-2-en-1-ol
SMILESC=C/C(=C/CO)CCC
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h4,6,9H,2-3,5,7H2,1H3/b8-6-
InChIKeyINNOFDHPJQXBAL-VURMDHGXSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (E)-3-ethenylhex-2-en-1-ol

(E)-3-ethenylhex-2-en-1-ol (PubChem CID 5364724) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-3-ethenylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-ethenylhex-2-en-1-ol
PubChem CID5364724
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(E)-3-ethenylhex-2-en-1-ol
SMILESC=C/C(=C/CO)CCC
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h4,6,9H,2-3,5,7H2,1H3/b8-6-
InChIKeyINNOFDHPJQXBAL-VURMDHGXSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
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 (E)-3-ethenylhex-2-en-1-ol?
The IUPAC name of (E)-3-ethenylhex-2-en-1-ol (CID 5364724) is (E)-3-ethenylhex-2-en-1-ol.
What is the SMILES notation for (E)-3-ethenylhex-2-en-1-ol?
The canonical SMILES for (E)-3-ethenylhex-2-en-1-ol is C=C/C(=C/CO)CCC.
What is the InChIKey of (E)-3-ethenylhex-2-en-1-ol?
The InChIKey is INNOFDHPJQXBAL-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(4-2)6-7-9/h4,6,9H,2-3,5,7H2,1H3/b8-6-.
What are the key properties of (E)-3-ethenylhex-2-en-1-ol?
(E)-3-ethenylhex-2-en-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylhex-2-en-1-ol is sourced from PubChem (CID 5364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).