6-prop-2-enoyloxyheptan-2-yl prop-2-enoate

C13H20O4 — CID 58537732

IUPAC6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC(C)OC(=O)C=C
InChIInChI=1S/C13H20O4/c1-5-12(14)16-10(3)8-7-9-11(4)17-13(15)6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyRIIJGIHDNDUXGJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.39
Rot. Bonds8

About 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate (PubChem CID 58537732) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate.

Molecular Properties

Compound Name6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
PubChem CID58537732
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCC(C)OC(=O)C=C
InChIInChI=1S/C13H20O4/c1-5-12(14)16-10(3)8-7-9-11(4)17-13(15)6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeyRIIJGIHDNDUXGJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methylhexan-2-yl prop-2-enoate
CID 151222941
5-hydrazinylpentan-2-yl prop-2-enoate
CID 139644736
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate?
The IUPAC name of 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate (CID 58537732) is 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate.
What is the SMILES notation for 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate?
The canonical SMILES for 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCC(C)OC(=O)C=C.
What is the InChIKey of 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate?
The InChIKey is RIIJGIHDNDUXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-12(14)16-10(3)8-7-9-11(4)17-13(15)6-2/h5-6,10-11H,1-2,7-9H2,3-4H3.
What are the key properties of 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate?
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyloxyheptan-2-yl prop-2-enoate is sourced from PubChem (CID 58537732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).