5-oxohept-6-en-2-yl prop-2-enoate

C10H14O3 — CID 23534043

IUPAC5-oxohept-6-en-2-yl prop-2-enoate
SMILESC=CC(=O)CCC(C)OC(=O)C=C
InChIInChI=1S/C10H14O3/c1-4-9(11)7-6-8(3)13-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyUHWHQVYKQWPYDN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.64
Rot. Bonds6

About 5-oxohept-6-en-2-yl prop-2-enoate

5-oxohept-6-en-2-yl prop-2-enoate (PubChem CID 23534043) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-oxohept-6-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name5-oxohept-6-en-2-yl prop-2-enoate
PubChem CID23534043
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-oxohept-6-en-2-yl prop-2-enoate
SMILESC=CC(=O)CCC(C)OC(=O)C=C
InChIInChI=1S/C10H14O3/c1-4-9(11)7-6-8(3)13-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyUHWHQVYKQWPYDN-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoyloxypentanoic acid
CID 87568780
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113
5-methylhexan-2-yl prop-2-enoate
CID 151222941
[(2R)-5-oxohept-6-en-2-yl] (3S)-3-hydroxypent-4-enoate
CID 102443004
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
CID 172734708
CID 172734708
4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
CID 151879841
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704

Frequently Asked Questions

What is the IUPAC name of 5-oxohept-6-en-2-yl prop-2-enoate?
The IUPAC name of 5-oxohept-6-en-2-yl prop-2-enoate (CID 23534043) is 5-oxohept-6-en-2-yl prop-2-enoate.
What is the SMILES notation for 5-oxohept-6-en-2-yl prop-2-enoate?
The canonical SMILES for 5-oxohept-6-en-2-yl prop-2-enoate is C=CC(=O)CCC(C)OC(=O)C=C.
What is the InChIKey of 5-oxohept-6-en-2-yl prop-2-enoate?
The InChIKey is UHWHQVYKQWPYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-9(11)7-6-8(3)13-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5-oxohept-6-en-2-yl prop-2-enoate?
5-oxohept-6-en-2-yl prop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxohept-6-en-2-yl prop-2-enoate is sourced from PubChem (CID 23534043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).