2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate

C16H24O3 — CID 141402360

IUPAC2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
SMILESCc1cccc(C(=O)OCC(C)C)c1OCC(C)C
InChIInChI=1S/C16H24O3/c1-11(2)9-18-15-13(5)7-6-8-14(15)16(17)19-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLNJGWZGCOQTJJU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.84
Rot. Bonds6

About 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate

2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate (PubChem CID 141402360) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
PubChem CID141402360
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
SMILESCc1cccc(C(=O)OCC(C)C)c1OCC(C)C
InChIInChI=1S/C16H24O3/c1-11(2)9-18-15-13(5)7-6-8-14(15)16(17)19-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyLNJGWZGCOQTJJU-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-bromo-3-methylbenzoate
CID 171989965
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2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
2-hydroxypropyl 2-amino-3-methylbenzoate
CID 65279683
bis(2-methylpropyl) 3-fluorobenzene-1,2-dicarboxylate
CID 23502306
tetrakis(2-methylpropyl) perylene-3,4,9,10-tetracarboxylate
CID 123503031
2-methylpropyl 2-benzoylbenzoate
CID 142743650
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-methylbenzoate
CID 61322087
2-O-(3,5-dimethylphenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 6423485
2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186357
bis(2-methylpropyl) 3-propylbenzene-1,2-dicarboxylate
CID 138733994

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate?
The IUPAC name of 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate (CID 141402360) is 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate.
What is the SMILES notation for 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate?
The canonical SMILES for 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate is Cc1cccc(C(=O)OCC(C)C)c1OCC(C)C.
What is the InChIKey of 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate?
The InChIKey is LNJGWZGCOQTJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)9-18-15-13(5)7-6-8-14(15)16(17)19-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate?
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate has a molecular weight of 264.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate is sourced from PubChem (CID 141402360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).