2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate

C20H26O2 — CID 170192932

IUPAC2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate
SMILESCCC(C)c1ccc2cc(C(=O)OC(C)(C)CC)ccc2c1
InChIInChI=1S/C20H26O2/c1-6-14(3)15-8-9-17-13-18(11-10-16(17)12-15)19(21)22-20(4,5)7-2/h8-14H,6-7H2,1-5H3
InChIKeyZCZDDKJMKUKYCM-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.70
Rot. Bonds5

About 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate

2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate (PubChem CID 170192932) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate
PubChem CID170192932
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate
SMILESCCC(C)c1ccc2cc(C(=O)OC(C)(C)CC)ccc2c1
InChIInChI=1S/C20H26O2/c1-6-14(3)15-8-9-17-13-18(11-10-16(17)12-15)19(21)22-20(4,5)7-2/h8-14H,6-7H2,1-5H3
InChIKeyZCZDDKJMKUKYCM-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-6-(1-ethoxyethoxy)naphthalene;2-butan-2-yl-6-[(2-methylpropan-2-yl)oxy]naphthalene;tert-butyl 6-butan-2-ylnaphthalene-2-carboxylate
CID 162061271
(2E)-1-(6-butan-2-ylnaphthalen-2-yl)-2-ethenylpenta-2,4-dien-1-one
CID 143060611
2-cyclopentylpropan-2-yl 4-butan-2-ylbenzoate
CID 59409193
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylanthracene-2-carboxylate
CID 58070662
1-(4-butan-2-ylphenyl)-2,2-dimethylbutan-1-one
CID 55195816
6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
tert-butyl 3-butan-2-ylbenzoate;2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate;2-cyclopentylpropan-2-yl 3-butan-2-ylbenzoate;(1-ethylcyclohexyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 3-butan-2-ylbenzoate;2-methylbutan-2-yl 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 160673572
2-(4-fluoro-3-hydroxyphenyl)propan-2-yl 4-butan-2-ylbenzoate
CID 170374088
amino 4-butan-2-ylbenzoate
CID 89484351
2-butan-2-ylnaphthalene;2,3-dimethylbutanedioic acid;2-methyl-2-(trifluoromethyl)butanoic acid
CID 160998631

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate (CID 170192932) is 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate is CCC(C)c1ccc2cc(C(=O)OC(C)(C)CC)ccc2c1.
What is the InChIKey of 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate?
The InChIKey is ZCZDDKJMKUKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-14(3)15-8-9-17-13-18(11-10-16(17)12-15)19(21)22-20(4,5)7-2/h8-14H,6-7H2,1-5H3.
What are the key properties of 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate?
2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 6-butan-2-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 170192932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).