[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate

C16H24O5 — CID 118503796

IUPAC[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)C(=O)OC1(C(C)C)CCCCC1
InChIInChI=1S/C16H24O5/c1-11(2)14(18)20-10-13(17)15(19)21-16(12(3)4)8-6-5-7-9-16/h12H,1,5-10H2,2-4H3
InChIKeyYZSGIYTZWPXRDZ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.58
Rot. Bonds6

About [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate

[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate (PubChem CID 118503796) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
PubChem CID118503796
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)C(=O)OC1(C(C)C)CCCCC1
InChIInChI=1S/C16H24O5/c1-11(2)14(18)20-10-13(17)15(19)21-16(12(3)4)8-6-5-7-9-16/h12H,1,5-10H2,2-4H3
InChIKeyYZSGIYTZWPXRDZ-UHFFFAOYSA-N
XLogP2.58
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
CID 91415677
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
[2-oxo-2-(1-prop-1-en-2-ylcyclohexyl)oxyethyl] 2-methylprop-2-enoate
CID 159618515
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
CID 161185628
2-methyl-3-oxo-3-(1-propan-2-ylcyclohexyl)oxypropanoic acid
CID 170442818
1-[1-(2-methylprop-2-enoyloxy)cyclopentyl]ethyl 2,2-dimethylpropanoate
CID 90362040
2-[1-(1-hydroxypropan-2-yl)cyclohexyl]propyl 2-methylprop-2-enoate
CID 22712620
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
1,1-difluoro-2-[2-(1-propan-2-ylcyclopentyl)oxycarbonylprop-2-enoxy]ethanesulfonic acid
CID 89433565

Frequently Asked Questions

What is the IUPAC name of [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate (CID 118503796) is [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)C(=O)OC1(C(C)C)CCCCC1.
What is the InChIKey of [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate?
The InChIKey is YZSGIYTZWPXRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-11(2)14(18)20-10-13(17)15(19)21-16(12(3)4)8-6-5-7-9-16/h12H,1,5-10H2,2-4H3.
What are the key properties of [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate?
[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate has a molecular weight of 296.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118503796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).