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

C7H12O — CID 71587040

IUPAC(Z)-1-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\CO/C=C\C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3-,6-4-
InChIKeyQOCZFYYPDLVJLP-GLIMQPGKSA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds3

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

(Z)-1-[(Z)-prop-1-enoxy]but-2-ene (PubChem CID 71587040) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z)-1-[(Z)-prop-1-enoxy]but-2-ene.

Molecular Properties

Compound Name(Z)-1-[(Z)-prop-1-enoxy]but-2-ene
PubChem CID71587040
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z)-1-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\CO/C=C\C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3-,6-4-
InChIKeyQOCZFYYPDLVJLP-GLIMQPGKSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1-[(Z)-prop-1-enoxy]but-2-ene 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

Allyl vinyl ether
CID 221523
1-Propene, 3-methoxy-
CID 69392
(Z)-1,4-dimethoxybut-2-ene
CID 5386697
2-Butenyl propenyl ether
CID 21944
2-Butenyl 1-propenyl ether, (2E,1E)-
CID 6433446
Trans-1,4-dimethoxy-2-butene
CID 5362882
2-Butene, 1-methoxy-, (E)-
CID 5366216
(E)-1-[(E)-but-2-enoxy]but-2-ene
CID 14533154
Crotyl ether
CID 53823046
2-Butenyl ethyl ether
CID 5358345
2-Butenyl 1-propenyl ether, (2E,1Z)-
CID 11829392
Ethoxybut-2-ene
CID 316613

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(Z)-prop-1-enoxy]but-2-ene?
The IUPAC name of (Z)-1-[(Z)-prop-1-enoxy]but-2-ene (CID 71587040) is (Z)-1-[(Z)-prop-1-enoxy]but-2-ene.
What is the SMILES notation for (Z)-1-[(Z)-prop-1-enoxy]but-2-ene?
The canonical SMILES for (Z)-1-[(Z)-prop-1-enoxy]but-2-ene is C/C=C\CO/C=C\C.
What is the InChIKey of (Z)-1-[(Z)-prop-1-enoxy]but-2-ene?
The InChIKey is QOCZFYYPDLVJLP-GLIMQPGKSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3-,6-4-.
What are the key properties of (Z)-1-[(Z)-prop-1-enoxy]but-2-ene?
(Z)-1-[(Z)-prop-1-enoxy]but-2-ene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-prop-1-enoxy]but-2-ene is sourced from PubChem (CID 71587040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).