[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate

C24H34O2 — CID 89253626

IUPAC[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(c2ccc(C)cc2)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C24H34O2/c1-4-23(25)26-17-24(22-11-7-19(3)8-12-22)15-13-21(14-16-24)20-9-5-18(2)6-10-20/h4,7-8,11-12,18,20-21H,1,5-6,9-10,13-17H2,2-3H3
InChIKeyRRJCKPDPCRPRLY-UHFFFAOYSA-N
MW354.53 g/mol
LogP5.98
Rot. Bonds5

About [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate

[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate (PubChem CID 89253626) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate
PubChem CID89253626
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(c2ccc(C)cc2)CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C24H34O2/c1-4-23(25)26-17-24(22-11-7-19(3)8-12-22)15-13-21(14-16-24)20-9-5-18(2)6-10-20/h4,7-8,11-12,18,20-21H,1,5-6,9-10,13-17H2,2-3H3
InChIKeyRRJCKPDPCRPRLY-UHFFFAOYSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 55.98
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-[4-methyl-1-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]-2-oxoethyl] prop-2-enoate
CID 89253649
4-[1-[4-[1-(4-prop-2-enoyloxybutoxy)-4-(4-propylcyclohexyl)cyclohexyl]phenyl]-4-(4-propylcyclohexyl)cyclohexyl]oxybutyl prop-2-enoate
CID 89069472
[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 167706278
2-cyanoethyl prop-2-enoate;1,4-xylene
CID 67852962
[2-[4-methyl-1-(4-methylcyclohexyl)cyclohexyl]-2-oxoethyl] prop-2-enoate
CID 89253620
4-(4-methyl-1-prop-2-enoyloxycyclohexyl)benzoic acid
CID 141348918
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
(4-methylcyclohexyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 59366305
(1-tert-butyl-2,5-dihydroxycyclopentyl)methyl prop-2-enoate
CID 141037725
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate?
The IUPAC name of [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate (CID 89253626) is [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate?
The canonical SMILES for [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate is C=CC(=O)OCC1(c2ccc(C)cc2)CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate?
The InChIKey is RRJCKPDPCRPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-4-23(25)26-17-24(22-11-7-19(3)8-12-22)15-13-21(14-16-24)20-9-5-18(2)6-10-20/h4,7-8,11-12,18,20-21H,1,5-6,9-10,13-17H2,2-3H3.
What are the key properties of [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate?
[4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate has a molecular weight of 354.53 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)-1-(4-methylphenyl)cyclohexyl]methyl prop-2-enoate is sourced from PubChem (CID 89253626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).