4-(2-prop-2-enoxyethoxy)butan-2-one

C9H16O3 — CID 59615992

IUPAC4-(2-prop-2-enoxyethoxy)butan-2-one
SMILESC=CCOCCOCCC(C)=O
InChIInChI=1S/C9H16O3/c1-3-5-11-7-8-12-6-4-9(2)10/h3H,1,4-8H2,2H3
InChIKeyUZZYKPWNZSOMOD-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.18
Rot. Bonds8

About 4-(2-prop-2-enoxyethoxy)butan-2-one

4-(2-prop-2-enoxyethoxy)butan-2-one (PubChem CID 59615992) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-(2-prop-2-enoxyethoxy)butan-2-one.

Molecular Properties

Compound Name4-(2-prop-2-enoxyethoxy)butan-2-one
PubChem CID59615992
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-(2-prop-2-enoxyethoxy)butan-2-one
SMILESC=CCOCCOCCC(C)=O
InChIInChI=1S/C9H16O3/c1-3-5-11-7-8-12-6-4-9(2)10/h3H,1,4-8H2,2H3
InChIKeyUZZYKPWNZSOMOD-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-prop-2-enoxyethoxy)butan-2-one 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

4-Prop-2-enoxybutan-2-one
CID 11579123
3-Methyl-4-prop-2-enoxybutan-2-one
CID 20777042
(3R)-3-methyl-4-prop-2-enoxybutan-2-one
CID 59099455
(3S)-4-butoxy-3-prop-2-enoxybutanal
CID 87415144
Methane;2-prop-2-enoxyethyl 3-oxobutanoate
CID 157095502
1-[(E)-but-2-enoxy]pentan-3-one
CID 166515002
Butan-2-one;3-prop-2-enoxyprop-1-ene
CID 174388766
4-[(E)-but-2-enoxy]butan-2-one
CID 21727994
4-[(Z)-but-2-enoxy]butan-2-one
CID 21727995
4-Prop-2-enoxypentan-2-one
CID 64698936
4-But-2-enoxybutan-2-one
CID 73825952
4-But-3-en-2-yloxybutan-2-one
CID 130031063

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enoxyethoxy)butan-2-one?
The IUPAC name of 4-(2-prop-2-enoxyethoxy)butan-2-one (CID 59615992) is 4-(2-prop-2-enoxyethoxy)butan-2-one.
What is the SMILES notation for 4-(2-prop-2-enoxyethoxy)butan-2-one?
The canonical SMILES for 4-(2-prop-2-enoxyethoxy)butan-2-one is C=CCOCCOCCC(C)=O.
What is the InChIKey of 4-(2-prop-2-enoxyethoxy)butan-2-one?
The InChIKey is UZZYKPWNZSOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-11-7-8-12-6-4-9(2)10/h3H,1,4-8H2,2H3.
What are the key properties of 4-(2-prop-2-enoxyethoxy)butan-2-one?
4-(2-prop-2-enoxyethoxy)butan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enoxyethoxy)butan-2-one is sourced from PubChem (CID 59615992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).