methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate

C16H22O2 — CID 116842819

IUPACmethyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate
SMILESCCCc1ccc(C2(C(=O)OC)CC2(C)C)cc1
InChIInChI=1S/C16H22O2/c1-5-6-12-7-9-13(10-8-12)16(14(17)18-4)11-15(16,2)3/h7-10H,5-6,11H2,1-4H3
InChIKeyJAQJBCUQHDPMNF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.48
Rot. Bonds4

About methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate

methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate (PubChem CID 116842819) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate
PubChem CID116842819
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namemethyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate
SMILESCCCc1ccc(C2(C(=O)OC)CC2(C)C)cc1
InChIInChI=1S/C16H22O2/c1-5-6-12-7-9-13(10-8-12)16(14(17)18-4)11-15(16,2)3/h7-10H,5-6,11H2,1-4H3
InChIKeyJAQJBCUQHDPMNF-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
methyl 1-(4-ethylsulfanylphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842856
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
methyl 1-[(4-propylphenyl)methyl]cyclobutane-1-carboxylate
CID 116929692
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430
methyl 2-chloro-3-(4-propylphenyl)propanoate
CID 83194984
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
CID 159099314
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
N-methoxy-4-propylaniline
CID 143258857

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate (CID 116842819) is methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate is CCCc1ccc(C2(C(=O)OC)CC2(C)C)cc1.
What is the InChIKey of methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate?
The InChIKey is JAQJBCUQHDPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-6-12-7-9-13(10-8-12)16(14(17)18-4)11-15(16,2)3/h7-10H,5-6,11H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate?
methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate has a molecular weight of 246.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-1-(4-propylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116842819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).