cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate

C12H16O4 — CID 142728957

IUPACcyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1C=CCCC1
InChIInChI=1S/C12H16O4/c1-2-11(13)15-9-8-12(14)16-10-6-4-3-5-7-10/h2,4,6,10H,1,3,5,7-9H2
InChIKeyITOGQPLFJHVQSD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds5

About cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate

cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate (PubChem CID 142728957) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
PubChem CID142728957
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namecyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC1C=CCCC1
InChIInChI=1S/C12H16O4/c1-2-11(13)15-9-8-12(14)16-10-6-4-3-5-7-10/h2,4,6,10H,1,3,5,7-9H2
InChIKeyITOGQPLFJHVQSD-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohex-2-en-1-yl propanoate
CID 10986464
[(1S,2S,3S,4R)-2,3,4-tris(5-prop-2-enoyloxypentanoyloxy)cyclohexyl] 5-prop-2-enoyloxypentanoate
CID 118406595
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
cyclohex-2-en-1-yl prop-2-ynoate
CID 14249454
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
3-ethenoxycyclohexene
CID 12734632
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
cyclohept-2-en-1-yl 4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]-4-oxobutanoate
CID 139979645
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate?
The IUPAC name of cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate (CID 142728957) is cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate?
The InChIKey is ITOGQPLFJHVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-11(13)15-9-8-12(14)16-10-6-4-3-5-7-10/h2,4,6,10H,1,3,5,7-9H2.
What are the key properties of cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate?
cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate has a molecular weight of 224.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 142728957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).