2-methylidene-5-prop-2-enoyloxyhexanoic acid

C10H14O4 — CID 87125113

IUPAC2-methylidene-5-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-9(11)14-8(3)6-5-7(2)10(12)13/h4,8H,1-2,5-6H2,3H3,(H,12,13)
InChIKeyOAWIABOGBJXEFO-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.53
Rot. Bonds6

About 2-methylidene-5-prop-2-enoyloxyhexanoic acid

2-methylidene-5-prop-2-enoyloxyhexanoic acid (PubChem CID 87125113) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methylidene-5-prop-2-enoyloxyhexanoic acid.

Molecular Properties

Compound Name2-methylidene-5-prop-2-enoyloxyhexanoic acid
PubChem CID87125113
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-methylidene-5-prop-2-enoyloxyhexanoic acid
SMILESC=CC(=O)OC(C)CCC(=C)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-9(11)14-8(3)6-5-7(2)10(12)13/h4,8H,1-2,5-6H2,3H3,(H,12,13)
InChIKeyOAWIABOGBJXEFO-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
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
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
5-(2-ethenoxypropan-2-yloxy)-2-methylidenehexanoic acid
CID 87337334
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
butan-2-yl prop-2-enoate;3-methyl-2-methylidenepentanoic acid
CID 162259822

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-prop-2-enoyloxyhexanoic acid?
The IUPAC name of 2-methylidene-5-prop-2-enoyloxyhexanoic acid (CID 87125113) is 2-methylidene-5-prop-2-enoyloxyhexanoic acid.
What is the SMILES notation for 2-methylidene-5-prop-2-enoyloxyhexanoic acid?
The canonical SMILES for 2-methylidene-5-prop-2-enoyloxyhexanoic acid is C=CC(=O)OC(C)CCC(=C)C(=O)O.
What is the InChIKey of 2-methylidene-5-prop-2-enoyloxyhexanoic acid?
The InChIKey is OAWIABOGBJXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-9(11)14-8(3)6-5-7(2)10(12)13/h4,8H,1-2,5-6H2,3H3,(H,12,13).
What are the key properties of 2-methylidene-5-prop-2-enoyloxyhexanoic acid?
2-methylidene-5-prop-2-enoyloxyhexanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-prop-2-enoyloxyhexanoic acid is sourced from PubChem (CID 87125113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).