methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate

C15H20O2 — CID 116929803

IUPACmethyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H20O2/c1-10-7-11(2)13(12(3)8-10)9-15(5-6-15)14(16)17-4/h7-8H,5-6,9H2,1-4H3
InChIKeyMTLMTOOYWRRKTF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.11
Rot. Bonds3

About methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116929803) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116929803
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C15H20O2/c1-10-7-11(2)13(12(3)8-10)9-15(5-6-15)14(16)17-4/h7-8H,5-6,9H2,1-4H3
InChIKeyMTLMTOOYWRRKTF-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
CID 67668185
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65395327
methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930243
3-[(2,4,6-trimethylphenyl)methyl]oxolane-3-carboxylic acid
CID 62739415
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
methyl 1-[(2,4,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247433
methyl 1-[hydroxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 12027120
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247483
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116929823
methyl 1-[(2,5-difluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929868

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate (CID 116929803) is methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is MTLMTOOYWRRKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-7-11(2)13(12(3)8-10)9-15(5-6-15)14(16)17-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116929803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).