2-[(Z)-prop-1-enoxy]hex-1-ene

C9H16O — CID 88864526

IUPAC2-[(Z)-prop-1-enoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C\C
InChIInChI=1S/C9H16O/c1-4-6-7-9(3)10-8-5-2/h5,8H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyVAPTXYCKQBELGL-YVMONPNESA-N
MW140.23 g/mol
LogP3.24
Rot. Bonds5

About 2-[(Z)-prop-1-enoxy]hex-1-ene

2-[(Z)-prop-1-enoxy]hex-1-ene (PubChem CID 88864526) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enoxy]hex-1-ene.

Molecular Properties

Compound Name2-[(Z)-prop-1-enoxy]hex-1-ene
PubChem CID88864526
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-[(Z)-prop-1-enoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C\C
InChIInChI=1S/C9H16O/c1-4-6-7-9(3)10-8-5-2/h5,8H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyVAPTXYCKQBELGL-YVMONPNESA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(Z)-prop-1-enoxy]hex-1-ene 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 2-[(Z)-prop-1-enoxy]hex-1-ene?
The IUPAC name of 2-[(Z)-prop-1-enoxy]hex-1-ene (CID 88864526) is 2-[(Z)-prop-1-enoxy]hex-1-ene.
What is the SMILES notation for 2-[(Z)-prop-1-enoxy]hex-1-ene?
The canonical SMILES for 2-[(Z)-prop-1-enoxy]hex-1-ene is C=C(CCCC)O/C=C\C.
What is the InChIKey of 2-[(Z)-prop-1-enoxy]hex-1-ene?
The InChIKey is VAPTXYCKQBELGL-YVMONPNESA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-7-9(3)10-8-5-2/h5,8H,3-4,6-7H2,1-2H3/b8-5-.
What are the key properties of 2-[(Z)-prop-1-enoxy]hex-1-ene?
2-[(Z)-prop-1-enoxy]hex-1-ene has a molecular weight of 140.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enoxy]hex-1-ene is sourced from PubChem (CID 88864526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).