4-prop-1-en-2-yloxypentan-2-one

C8H14O2 — CID 118584680

IUPAC4-prop-1-en-2-yloxypentan-2-one
SMILESC=C(C)OC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-6(2)10-8(4)5-7(3)9/h8H,1,5H2,2-4H3
InChIKeyNCGPLLPJVWXDII-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds4

About 4-prop-1-en-2-yloxypentan-2-one

4-prop-1-en-2-yloxypentan-2-one (PubChem CID 118584680) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-prop-1-en-2-yloxypentan-2-one.

Molecular Properties

Compound Name4-prop-1-en-2-yloxypentan-2-one
PubChem CID118584680
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-prop-1-en-2-yloxypentan-2-one
SMILESC=C(C)OC(C)CC(C)=O
InChIInChI=1S/C8H14O2/c1-6(2)10-8(4)5-7(3)9/h8H,1,5H2,2-4H3
InChIKeyNCGPLLPJVWXDII-UHFFFAOYSA-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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Related Compounds

4-But-1-en-2-yloxybutan-2-one
CID 91135585
4-Ethenoxypentan-2-one
CID 130028319
4-[(Z)-prop-1-enoxy]pentan-2-one
CID 45085663
2-Pentanone, 4-(1-propenyloxy)-
CID 71435662
4-[(E)-prop-1-enoxy]pentan-2-one
CID 133670115

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yloxypentan-2-one?
The IUPAC name of 4-prop-1-en-2-yloxypentan-2-one (CID 118584680) is 4-prop-1-en-2-yloxypentan-2-one.
What is the SMILES notation for 4-prop-1-en-2-yloxypentan-2-one?
The canonical SMILES for 4-prop-1-en-2-yloxypentan-2-one is C=C(C)OC(C)CC(C)=O.
What is the InChIKey of 4-prop-1-en-2-yloxypentan-2-one?
The InChIKey is NCGPLLPJVWXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)10-8(4)5-7(3)9/h8H,1,5H2,2-4H3.
What are the key properties of 4-prop-1-en-2-yloxypentan-2-one?
4-prop-1-en-2-yloxypentan-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-prop-1-en-2-yloxypentan-2-one is sourced from PubChem (CID 118584680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).