4-[(Z)-prop-1-enoxy]pentan-2-one

C8H14O2 — CID 45085663

IUPAC4-[(Z)-prop-1-enoxy]pentan-2-one
SMILESC/C=C\OC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-10-8(3)6-7(2)9/h4-5,8H,6H2,1-3H3/b5-4-
InChIKeyRKWKWAFXPDBMTM-PLNGDYQASA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds4

About 4-[(Z)-prop-1-enoxy]pentan-2-one

4-[(Z)-prop-1-enoxy]pentan-2-one (PubChem CID 45085663) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enoxy]pentan-2-one.

Molecular Properties

Compound Name4-[(Z)-prop-1-enoxy]pentan-2-one
PubChem CID45085663
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-[(Z)-prop-1-enoxy]pentan-2-one
SMILESC/C=C\OC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-10-8(3)6-7(2)9/h4-5,8H,6H2,1-3H3/b5-4-
InChIKeyRKWKWAFXPDBMTM-PLNGDYQASA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enoxy]pentan-2-one?
The IUPAC name of 4-[(Z)-prop-1-enoxy]pentan-2-one (CID 45085663) is 4-[(Z)-prop-1-enoxy]pentan-2-one.
What is the SMILES notation for 4-[(Z)-prop-1-enoxy]pentan-2-one?
The canonical SMILES for 4-[(Z)-prop-1-enoxy]pentan-2-one is C/C=C\OC(C)CC(C)=O.
What is the InChIKey of 4-[(Z)-prop-1-enoxy]pentan-2-one?
The InChIKey is RKWKWAFXPDBMTM-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-10-8(3)6-7(2)9/h4-5,8H,6H2,1-3H3/b5-4-.
What are the key properties of 4-[(Z)-prop-1-enoxy]pentan-2-one?
4-[(Z)-prop-1-enoxy]pentan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enoxy]pentan-2-one is sourced from PubChem (CID 45085663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).