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

C18H30O2 — CID 67282706

IUPAC1,2-dicyclohexylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O2/c1-14(2)18(19)20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h15-17H,1,3-13H2,2H3
InChIKeyUREFTPSMMILJHC-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.03
Rot. Bonds5

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

1,2-dicyclohexylethyl 2-methylprop-2-enoate (PubChem CID 67282706) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,2-dicyclohexylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2-dicyclohexylethyl 2-methylprop-2-enoate
PubChem CID67282706
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1,2-dicyclohexylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H30O2/c1-14(2)18(19)20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h15-17H,1,3-13H2,2H3
InChIKeyUREFTPSMMILJHC-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexylethyl 2-methylprop-2-enoate?
The IUPAC name of 1,2-dicyclohexylethyl 2-methylprop-2-enoate (CID 67282706) is 1,2-dicyclohexylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2-dicyclohexylethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2-dicyclohexylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexylethyl 2-methylprop-2-enoate?
The InChIKey is UREFTPSMMILJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)18(19)20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h15-17H,1,3-13H2,2H3.
What are the key properties of 1,2-dicyclohexylethyl 2-methylprop-2-enoate?
1,2-dicyclohexylethyl 2-methylprop-2-enoate has a molecular weight of 278.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 67282706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).