1,3-bis(prop-2-enoxy)propan-2-one

C9H14O3 — CID 14710514

IUPAC1,3-bis(prop-2-enoxy)propan-2-one
SMILESC=CCOCC(=O)COCC=C
InChIInChI=1S/C9H14O3/c1-3-5-11-7-9(10)8-12-6-4-2/h3-4H,1-2,5-8H2
InChIKeyGNKYHZDPKWULAG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.96
Rot. Bonds8

About 1,3-bis(prop-2-enoxy)propan-2-one

1,3-bis(prop-2-enoxy)propan-2-one (PubChem CID 14710514) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,3-bis(prop-2-enoxy)propan-2-one.

Molecular Properties

Compound Name1,3-bis(prop-2-enoxy)propan-2-one
PubChem CID14710514
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,3-bis(prop-2-enoxy)propan-2-one
SMILESC=CCOCC(=O)COCC=C
InChIInChI=1S/C9H14O3/c1-3-5-11-7-9(10)8-12-6-4-2/h3-4H,1-2,5-8H2
InChIKeyGNKYHZDPKWULAG-UHFFFAOYSA-N
XLogP0.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.96
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'}

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Related Compounds

1-(Prop-2-en-1-yloxy)propan-2-one
CID 10909536
1-Methoxy-3-prop-2-enoxypropan-2-one
CID 24823865
1-[(E)-but-2-enoxy]propan-2-one
CID 62277294
1-Prop-2-enoxybutan-2-one
CID 10080414
1-But-2-enoxypropan-2-one
CID 57062452
1-Hydroxy-3-prop-2-enoxypropan-2-one
CID 88562092
1-[(Z)-4-methoxybut-2-enoxy]propan-2-one
CID 90334139
1-Penta-1,4-dien-3-yloxypropan-2-one
CID 91456526
(3S)-3-prop-2-enoxybutan-2-one
CID 93497619
1-Prop-2-enoxyhex-3-yn-2-one
CID 25224042
2-Butanone, 3-(2-propenyloxy)-
CID 45085311
1-[(E)-but-2-enoxy]-3-methoxypropan-2-one
CID 107508138

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enoxy)propan-2-one?
The IUPAC name of 1,3-bis(prop-2-enoxy)propan-2-one (CID 14710514) is 1,3-bis(prop-2-enoxy)propan-2-one.
What is the SMILES notation for 1,3-bis(prop-2-enoxy)propan-2-one?
The canonical SMILES for 1,3-bis(prop-2-enoxy)propan-2-one is C=CCOCC(=O)COCC=C.
What is the InChIKey of 1,3-bis(prop-2-enoxy)propan-2-one?
The InChIKey is GNKYHZDPKWULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-5-11-7-9(10)8-12-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 1,3-bis(prop-2-enoxy)propan-2-one?
1,3-bis(prop-2-enoxy)propan-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enoxy)propan-2-one is sourced from PubChem (CID 14710514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).