cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate

C14H18O6 — CID 150653139

IUPACcyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate
SMILESC=CC(=O)OC1C(=O)OCC1C(=O)OC1CCCCC1
InChIInChI=1S/C14H18O6/c1-2-11(15)20-12-10(8-18-14(12)17)13(16)19-9-6-4-3-5-7-9/h2,9-10,12H,1,3-8H2
InChIKeyJCHOCAXCAWJIHM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.13
Rot. Bonds4

About cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate

cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate (PubChem CID 150653139) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate
PubChem CID150653139
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namecyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate
SMILESC=CC(=O)OC1C(=O)OCC1C(=O)OC1CCCCC1
InChIInChI=1S/C14H18O6/c1-2-11(15)20-12-10(8-18-14(12)17)13(16)19-9-6-4-3-5-7-9/h2,9-10,12H,1,3-8H2
InChIKeyJCHOCAXCAWJIHM-UHFFFAOYSA-N
XLogP1.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
(6-oxooxan-3-yl) prop-2-enoate
CID 67203848
[2-(1-cyclohexyloxyethoxy)-1,4-dioxospiro[4.5]decan-3-yl] prop-2-enoate
CID 163443965
CID 159294157
CID 159294157
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
(4,5,5-trimethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 66919881
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
cyclooctyl cyclooctanecarboxylate
CID 57160377
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
CID 140571130

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate?
The IUPAC name of cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate (CID 150653139) is cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate.
What is the SMILES notation for cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate?
The canonical SMILES for cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate is C=CC(=O)OC1C(=O)OCC1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate?
The InChIKey is JCHOCAXCAWJIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-2-11(15)20-12-10(8-18-14(12)17)13(16)19-9-6-4-3-5-7-9/h2,9-10,12H,1,3-8H2.
What are the key properties of cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate?
cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-oxo-4-prop-2-enoyloxyoxolane-3-carboxylate is sourced from PubChem (CID 150653139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).