trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate

C17H24O2 — CID 146167294

IUPACtrans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate
SMILESCc1ccccc1[C@]1(C)C[C@@]1(C)C(=O)OCC(C)C
InChIInChI=1S/C17H24O2/c1-12(2)10-19-15(18)17(5)11-16(17,4)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3/t16-,17-/m0/s1
InChIKeyYLFKERQFDIYUSX-IRXDYDNUSA-N
MW260.38 g/mol
LogP3.86
Rot. Bonds4

About trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate

trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 146167294) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate
PubChem CID146167294
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nametrans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate
SMILESCc1ccccc1[C@]1(C)C[C@@]1(C)C(=O)OCC(C)C
InChIInChI=1S/C17H24O2/c1-12(2)10-19-15(18)17(5)11-16(17,4)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3/t16-,17-/m0/s1
InChIKeyYLFKERQFDIYUSX-IRXDYDNUSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate (CID 146167294) is trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate is Cc1ccccc1[C@]1(C)C[C@@]1(C)C(=O)OCC(C)C.
What is the InChIKey of trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is YLFKERQFDIYUSX-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)10-19-15(18)17(5)11-16(17,4)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3/t16-,17-/m0/s1.
What are the key properties of trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate?
trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-2-methylpropyl (1R,2S)-1,2-dimethyl-2-(2-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 146167294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).