(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate

C15H22O2Si — CID 123331148

IUPAC(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate
SMILESCc1ccc(OC(=O)C2CCC(C[SiH3])CC2)cc1
InChIInChI=1S/C15H22O2Si/c1-11-2-8-14(9-3-11)17-15(16)13-6-4-12(10-18)5-7-13/h2-3,8-9,12-13H,4-7,10H2,1,18H3
InChIKeyLIIKAQODBPWLFV-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.49
Rot. Bonds3

About (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate

(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate (PubChem CID 123331148) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate
PubChem CID123331148
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate
SMILESCc1ccc(OC(=O)C2CCC(C[SiH3])CC2)cc1
InChIInChI=1S/C15H22O2Si/c1-11-2-8-14(9-3-11)17-15(16)13-6-4-12(10-18)5-7-13/h2-3,8-9,12-13H,4-7,10H2,1,18H3
InChIKeyLIIKAQODBPWLFV-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
[4-(4-methylphenyl)phenyl] 4-[4-(silylmethyl)cyclohexyl]benzoate
CID 123483170
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
CID 139337231
(4-methylphenyl) (2R,4aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate
CID 54021161
(4-methylphenyl) 2,6-difluoro-4-[4-(silylmethyl)cyclohexyl]benzoate
CID 123759954
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
4-O-[4-[2-(dimethylcarbamoyloxy)ethoxy]phenyl] 1-O-(4-methylphenyl) cyclohexane-1,4-dicarboxylate
CID 59428985

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate?
The IUPAC name of (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate (CID 123331148) is (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate?
The canonical SMILES for (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate is Cc1ccc(OC(=O)C2CCC(C[SiH3])CC2)cc1.
What is the InChIKey of (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate?
The InChIKey is LIIKAQODBPWLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-11-2-8-14(9-3-11)17-15(16)13-6-4-12(10-18)5-7-13/h2-3,8-9,12-13H,4-7,10H2,1,18H3.
What are the key properties of (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate?
(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate has a molecular weight of 262.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 123331148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).