[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate

C20H32O3 — CID 58734454

IUPAC[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1
InChIInChI=1S/C20H32O3/c1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2,16-18H,1,3-15H2
InChIKeyQGUWKKLAIIBVDB-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.79
Rot. Bonds5

About [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate

[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate (PubChem CID 58734454) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate.

Molecular Properties

Compound Name[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
PubChem CID58734454
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1
InChIInChI=1S/C20H32O3/c1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2,16-18H,1,3-15H2
InChIKeyQGUWKKLAIIBVDB-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dicyclohexylethyl prop-2-enoate
CID 23450575
2-cycloheptylbutan-2-yl prop-2-enoate
CID 170992142
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
CID 88741656
2-(7-oxooxepan-2-yl)propan-2-yl prop-2-enoate
CID 20736048
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate
CID 158598817
tert-butyl prop-2-enoate;cyclohexanol
CID 135319447
2-[5-(acetyloxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;[dicyclohexyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate;2-[5-(hydroxymethyl)oxolan-2-yl]propan-2-yl prop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclohexyl] 2-methylprop-2-enoate;[1-[5-(methoxymethyl)oxolan-2-yl]cyclopentyl] 2-methylprop-2-enoate;2-[5-(methoxymethyl)oxolan-2-yl]propan-2-yl 2-methylprop-2-enoate
CID 158940208
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509

Frequently Asked Questions

What is the IUPAC name of [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate?
The IUPAC name of [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate (CID 58734454) is [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate.
What is the SMILES notation for [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate?
The canonical SMILES for [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate is C=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.
What is the InChIKey of [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate?
The InChIKey is QGUWKKLAIIBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2,16-18H,1,3-15H2.
What are the key properties of [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate?
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate has a molecular weight of 320.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate is sourced from PubChem (CID 58734454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).