(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C9H14O — CID 87112963

IUPAC(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C/C)C(C)O
InChIInChI=1S/C9H14O/c1-4-6-9(7-5-2)8(3)10/h4-8,10H,1H2,2-3H3/b7-5-,9-6+
InChIKeyOOVMNMYGSQTCIL-XCZNYUDNSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds3

About (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 87112963) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID87112963
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C/C)C(C)O
InChIInChI=1S/C9H14O/c1-4-6-9(7-5-2)8(3)10/h4-8,10H,1H2,2-3H3/b7-5-,9-6+
InChIKeyOOVMNMYGSQTCIL-XCZNYUDNSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-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

Related Compounds

ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142105650
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
CID 164901972
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienal;pentan-2-one
CID 143358697
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-trihydroxy-λ4-sulfane
CID 172576373

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 87112963) is (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C=C/C=C(\C=C/C)C(C)O.
What is the InChIKey of (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is OOVMNMYGSQTCIL-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H14O/c1-4-6-9(7-5-2)8(3)10/h4-8,10H,1H2,2-3H3/b7-5-,9-6+.
What are the key properties of (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol has a molecular weight of 138.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 87112963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).