(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene

C9H14O — CID 118181315

IUPAC(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
SMILESC=C/C=C\C(C)O/C=C/C
InChIInChI=1S/C9H14O/c1-4-6-7-9(3)10-8-5-2/h4-9H,1H2,2-3H3/b7-6-,8-5+
InChIKeyYGHIFLOUJDXFSO-WNXMRAAYSA-N
MW138.21 g/mol
LogP2.67
Rot. Bonds4

About (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene

(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene (PubChem CID 118181315) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
PubChem CID118181315
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
SMILESC=C/C=C\C(C)O/C=C/C
InChIInChI=1S/C9H14O/c1-4-6-7-9(3)10-8-5-2/h4-9H,1H2,2-3H3/b7-6-,8-5+
InChIKeyYGHIFLOUJDXFSO-WNXMRAAYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene 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 (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene?
The IUPAC name of (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene (CID 118181315) is (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene.
What is the SMILES notation for (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene?
The canonical SMILES for (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene is C=C/C=C\C(C)O/C=C/C.
What is the InChIKey of (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene?
The InChIKey is YGHIFLOUJDXFSO-WNXMRAAYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-6-7-9(3)10-8-5-2/h4-9H,1H2,2-3H3/b7-6-,8-5+.
What are the key properties of (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene?
(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene is sourced from PubChem (CID 118181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).