1-(2-ethylidenepent-3-enoxy)butan-2-one

C11H18O2 — CID 123845497

IUPAC1-(2-ethylidenepent-3-enoxy)butan-2-one
SMILESCC=CC(=CC)COCC(=O)CC
InChIInChI=1S/C11H18O2/c1-4-7-10(5-2)8-13-9-11(12)6-3/h4-5,7H,6,8-9H2,1-3H3
InChIKeyIKYNTTXYQIHFAR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds6

About 1-(2-ethylidenepent-3-enoxy)butan-2-one

1-(2-ethylidenepent-3-enoxy)butan-2-one (PubChem CID 123845497) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2-ethylidenepent-3-enoxy)butan-2-one.

Molecular Properties

Compound Name1-(2-ethylidenepent-3-enoxy)butan-2-one
PubChem CID123845497
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2-ethylidenepent-3-enoxy)butan-2-one
SMILESCC=CC(=CC)COCC(=O)CC
InChIInChI=1S/C11H18O2/c1-4-7-10(5-2)8-13-9-11(12)6-3/h4-5,7H,6,8-9H2,1-3H3
InChIKeyIKYNTTXYQIHFAR-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
3,5,7-Trimethyl-2-prop-2-enoxycyclohepta-2,4,6-trien-1-one
CID 12950342
Lithium phenylmethyl 2-oxobutanoate
CID 134860183
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
(4Z)-3-ethoxy-4-(1-fluoroethenyl)hepta-4,6-dien-2-one
CID 144482396
ethyl (2E,4E,6E)-9-ethoxy-2,7-dimethyl-8-oxonona-2,4,6-trienoate
CID 59386255
1-(1,4,6-Trimethylcyclohexa-2,4-dien-1-yl)oxypropan-2-one
CID 68173482
3-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)oxy-3-methylbutan-2-one
CID 70947564
Ethyl 9-ethoxy-2,7-dimethyl-8-oxonona-2,4,6-trienoate
CID 72283886
(E)-5-methoxy-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]oxyhex-4-en-2-one
CID 88064442
3-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]butanal
CID 89125100
3-Pent-3-en-2-yloxybutan-2-one
CID 90741948

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidenepent-3-enoxy)butan-2-one?
The IUPAC name of 1-(2-ethylidenepent-3-enoxy)butan-2-one (CID 123845497) is 1-(2-ethylidenepent-3-enoxy)butan-2-one.
What is the SMILES notation for 1-(2-ethylidenepent-3-enoxy)butan-2-one?
The canonical SMILES for 1-(2-ethylidenepent-3-enoxy)butan-2-one is CC=CC(=CC)COCC(=O)CC.
What is the InChIKey of 1-(2-ethylidenepent-3-enoxy)butan-2-one?
The InChIKey is IKYNTTXYQIHFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7-10(5-2)8-13-9-11(12)6-3/h4-5,7H,6,8-9H2,1-3H3.
What are the key properties of 1-(2-ethylidenepent-3-enoxy)butan-2-one?
1-(2-ethylidenepent-3-enoxy)butan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylidenepent-3-enoxy)butan-2-one is sourced from PubChem (CID 123845497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).