methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate

C14H18O2 — CID 158871678

IUPACmethyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C14H18O2/c1-10-5-7-11(8-6-10)14(12(15)16-4)9-13(14,2)3/h5-8H,9H2,1-4H3/t14-/m1/s1
InChIKeyJRZNJHUHIBBUCH-CQSZACIVSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds2

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

methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 158871678) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
PubChem CID158871678
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C14H18O2/c1-10-5-7-11(8-6-10)14(12(15)16-4)9-13(14,2)3/h5-8H,9H2,1-4H3/t14-/m1/s1
InChIKeyJRZNJHUHIBBUCH-CQSZACIVSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate (CID 158871678) is methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate is COC(=O)[C@]1(c2ccc(C)cc2)CC1(C)C.
What is the InChIKey of methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is JRZNJHUHIBBUCH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-5-7-11(8-6-10)14(12(15)16-4)9-13(14,2)3/h5-8H,9H2,1-4H3/t14-/m1/s1.
What are the key properties of methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate?
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 158871678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).