[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate

C24H34O3 — CID 170153493

IUPAC[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OC(C)(C)CCOC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C24H34O3/c1-22(2,3)17-21(25)27-23(4,5)14-15-26-24(6,7)20-13-12-18-10-8-9-11-19(18)16-20/h8-13,16H,14-15,17H2,1-7H3
InChIKeyLPZQVCDGBBACKW-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.24
Rot. Bonds7

About [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate

[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate (PubChem CID 170153493) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate
PubChem CID170153493
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OC(C)(C)CCOC(C)(C)c1ccc2ccccc2c1
InChIInChI=1S/C24H34O3/c1-22(2,3)17-21(25)27-23(4,5)14-15-26-24(6,7)20-13-12-18-10-8-9-11-19(18)16-20/h8-13,16H,14-15,17H2,1-7H3
InChIKeyLPZQVCDGBBACKW-UHFFFAOYSA-N
XLogP6.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate with MolForge

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Related Compounds

[4-[2-[4-[2-[4-[2-(3-acetyloxy-3-methylbutoxy)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]-2-methylbutan-2-yl] acetate
CID 169145166
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
CID 132990782
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
[2-methyl-4-[2-[4-[2-[4-[2-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 89135330
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
[3,5-dimethyl-4-[2-(2-naphthalen-2-ylpropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169017505
[4-[2-(2-anthracen-2-ylpropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169017551
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate?
The IUPAC name of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate (CID 170153493) is [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate.
What is the SMILES notation for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate?
The canonical SMILES for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate is CC(C)(C)CC(=O)OC(C)(C)CCOC(C)(C)c1ccc2ccccc2c1.
What is the InChIKey of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate?
The InChIKey is LPZQVCDGBBACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-22(2,3)17-21(25)27-23(4,5)14-15-26-24(6,7)20-13-12-18-10-8-9-11-19(18)16-20/h8-13,16H,14-15,17H2,1-7H3.
What are the key properties of [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate?
[2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate has a molecular weight of 370.53 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 3,3-dimethylbutanoate is sourced from PubChem (CID 170153493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).