[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate

C18H28O2 — CID 134232903

IUPAC[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
SMILESCC(C)C(C)Cc1ccccc1COC(=O)C(C)(C)C
InChIInChI=1S/C18H28O2/c1-13(2)14(3)11-15-9-7-8-10-16(15)12-20-17(19)18(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKeyDZVMITGSDUISCW-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.61
Rot. Bonds5

About [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate

[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate (PubChem CID 134232903) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
PubChem CID134232903
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
SMILESCC(C)C(C)Cc1ccccc1COC(=O)C(C)(C)C
InChIInChI=1S/C18H28O2/c1-13(2)14(3)11-15-9-7-8-10-16(15)12-20-17(19)18(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKeyDZVMITGSDUISCW-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyanomethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 165346081
(2-formylphenyl)methyl 2,2-dimethylpropanoate
CID 10560870
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
(2-phenylphenyl)methyl 2,2-dimethylpropanoate
CID 143507631
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
CID 11276917
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
CID 67924023
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
[5-(2-chlorophenyl)-3,4-dihydroxypentyl] 2,2-dimethylpropanoate
CID 90018911
benzyl (2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoate
CID 165166794
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate (CID 134232903) is [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate is CC(C)C(C)Cc1ccccc1COC(=O)C(C)(C)C.
What is the InChIKey of [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate?
The InChIKey is DZVMITGSDUISCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)14(3)11-15-9-7-8-10-16(15)12-20-17(19)18(4,5)6/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate?
[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate has a molecular weight of 276.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 134232903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).