1,1-dicyclohexylethyl 2-methylprop-2-enoate

C18H30O2 — CID 22090694

IUPAC1,1-dicyclohexylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,1,4-13H2,2-3H3
InChIKeyGEJANRIOXIMIMG-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.03
Rot. Bonds4

About 1,1-dicyclohexylethyl 2-methylprop-2-enoate

1,1-dicyclohexylethyl 2-methylprop-2-enoate (PubChem CID 22090694) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,1-dicyclohexylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-dicyclohexylethyl 2-methylprop-2-enoate
PubChem CID22090694
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1,1-dicyclohexylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,1,4-13H2,2-3H3
InChIKeyGEJANRIOXIMIMG-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dicyclohexylethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
1,1-dicyclohexylethyl 2-iminopropanoate
CID 123241890
1,1-dicyclohexylethyl prop-2-enoate
CID 23450575
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
CID 164803622
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
[1-cyclohexyl-1-(4-prop-2-enylphenyl)ethyl] 2-methylprop-2-enoate
CID 163741956
bis(2-methylprop-2-enoyl) cyclohexane-1,2-dicarboxylate
CID 87249059
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-dicyclohexylethyl 2-methylprop-2-enoate (CID 22090694) is 1,1-dicyclohexylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-dicyclohexylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-dicyclohexylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylethyl 2-methylprop-2-enoate?
The InChIKey is GEJANRIOXIMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)17(19)20-18(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,1,4-13H2,2-3H3.
What are the key properties of 1,1-dicyclohexylethyl 2-methylprop-2-enoate?
1,1-dicyclohexylethyl 2-methylprop-2-enoate has a molecular weight of 278.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).