[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate

C21H32O4 — CID 20502006

IUPAC[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C(C)(C)C2(OC(=O)C=C)CCCCC2)CCCCC1
InChIInChI=1S/C21H32O4/c1-5-17(22)24-20(13-9-7-10-14-20)19(3,4)21(25-18(23)6-2)15-11-8-12-16-21/h5-6H,1-2,7-16H2,3-4H3
InChIKeyJGVZUEIIQADAMH-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.88
Rot. Bonds6

About [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate

[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate (PubChem CID 20502006) has the molecular formula C21H32O4 and a molecular weight of 348.48 g/mol. Its IUPAC name is [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
PubChem CID20502006
Molecular FormulaC21H32O4
Molecular Weight348.48 g/mol
Exact Mass348.23
IUPAC Name[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C(C)(C)C2(OC(=O)C=C)CCCCC2)CCCCC1
InChIInChI=1S/C21H32O4/c1-5-17(22)24-20(13-9-7-10-14-20)19(3,4)21(25-18(23)6-2)15-11-8-12-16-21/h5-6H,1-2,7-16H2,3-4H3
InChIKeyJGVZUEIIQADAMH-UHFFFAOYSA-N
XLogP4.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate with MolForge

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Related Compounds

[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
[1-[1,1,3,3,3-pentafluoro-2-methyl-2-(1-methylcyclopentyl)oxypropyl]cyclohexyl] prop-2-enoate
CID 58995521
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
(1-tert-butylcyclohexyl) (E)-but-2-enoate
CID 22051816
(E)-4-(1-tert-butylcyclohexyl)oxy-4-oxobut-2-enoic acid
CID 19864028
(1-propylcyclononyl) prop-2-enoate
CID 141276110
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate?
The IUPAC name of [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate (CID 20502006) is [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate.
What is the SMILES notation for [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate?
The canonical SMILES for [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate is C=CC(=O)OC1(C(C)(C)C2(OC(=O)C=C)CCCCC2)CCCCC1.
What is the InChIKey of [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate?
The InChIKey is JGVZUEIIQADAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4/c1-5-17(22)24-20(13-9-7-10-14-20)19(3,4)21(25-18(23)6-2)15-11-8-12-16-21/h5-6H,1-2,7-16H2,3-4H3.
What are the key properties of [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate?
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate has a molecular weight of 348.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate is sourced from PubChem (CID 20502006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).