(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate

C16H28O2 — CID 144855879

IUPAC(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CC)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-5-16(6-2,12-18-15(17)13(3)4)14-10-8-7-9-11-14/h14H,3,5-12H2,1-2,4H3
InChIKeyLOFZJVISYCXMDS-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.49
Rot. Bonds6

About (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate

(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate (PubChem CID 144855879) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
PubChem CID144855879
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)(CC)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-5-16(6-2,12-18-15(17)13(3)4)14-10-8-7-9-11-14/h14H,3,5-12H2,1-2,4H3
InChIKeyLOFZJVISYCXMDS-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.49
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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Related Compounds

(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
CID 139637207
2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 67708962
(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
3-cyclohexylpentan-3-yl 2-(2-methylprop-2-enoyloxy)butanoate
CID 67522933
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate?
The IUPAC name of (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate (CID 144855879) is (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)(CC)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate?
The InChIKey is LOFZJVISYCXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-16(6-2,12-18-15(17)13(3)4)14-10-8-7-9-11-14/h14H,3,5-12H2,1-2,4H3.
What are the key properties of (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate?
(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate is sourced from PubChem (CID 144855879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).