ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate

C18H26O2 — CID 15029983

IUPACethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-5-20-16(19)18(12-10-17(3,4)11-13-18)15-8-6-14(2)7-9-15/h6-9H,5,10-13H2,1-4H3
InChIKeyDZVSSGTZHIDDPM-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.40
Rot. Bonds3

About ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate

ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate (PubChem CID 15029983) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
PubChem CID15029983
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Nameethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CCC(C)(C)CC1
InChIInChI=1S/C18H26O2/c1-5-20-16(19)18(12-10-17(3,4)11-13-18)15-8-6-14(2)7-9-15/h6-9H,5,10-13H2,1-4H3
InChIKeyDZVSSGTZHIDDPM-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
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CID 15029975
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CID 14774392
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 3076324
ethyl 3,3-dimethyl-1-(4-methylanilino)cyclopentane-1-carboxylate
CID 80699790

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate (CID 15029983) is ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate is CCOC(=O)C1(c2ccc(C)cc2)CCC(C)(C)CC1.
What is the InChIKey of ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate?
The InChIKey is DZVSSGTZHIDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-20-16(19)18(12-10-17(3,4)11-13-18)15-8-6-14(2)7-9-15/h6-9H,5,10-13H2,1-4H3.
What are the key properties of ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate?
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate has a molecular weight of 274.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 15029983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).