[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate

C24H28O2 — CID 101089471

IUPAC[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C24H28O2/c1-18(2)23(25)26-24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(3)15-17-22/h4-13,19,22H,1,14-17H2,2-3H3
InChIKeyFSVFDXXNNYHGJQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.88
Rot. Bonds5

About [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate

[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate (PubChem CID 101089471) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate
PubChem CID101089471
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)C1CCC(C)CC1
InChIInChI=1S/C24H28O2/c1-18(2)23(25)26-24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(3)15-17-22/h4-13,19,22H,1,14-17H2,2-3H3
InChIKeyFSVFDXXNNYHGJQ-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.88
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

acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 89476158
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
CID 159239644
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
CID 174415420
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510

Frequently Asked Questions

What is the IUPAC name of [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate?
The IUPAC name of [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate (CID 101089471) is [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate?
The canonical SMILES for [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)C1CCC(C)CC1.
What is the InChIKey of [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate?
The InChIKey is FSVFDXXNNYHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-18(2)23(25)26-24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-16-14-19(3)15-17-22/h4-13,19,22H,1,14-17H2,2-3H3.
What are the key properties of [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate?
[(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate has a molecular weight of 348.49 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylcyclohexyl)-diphenylmethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 101089471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).