[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate

C32H38O3Si — CID 153297014

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCCCC(Cc1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H38O3Si/c1-32(2,3)36(4,5)34-20-10-15-30(22-24-16-17-25-11-6-8-13-27(25)21-24)35-31(33)29-19-18-26-12-7-9-14-28(26)23-29/h6-9,11-14,16-19,21,23,30H,10,15,20,22H2,1-5H3
InChIKeyGJMSQXNANZSSIN-UHFFFAOYSA-N
MW498.74 g/mol
LogP8.56
Rot. Bonds9

About [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate

[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate (PubChem CID 153297014) has the molecular formula C32H38O3Si and a molecular weight of 498.74 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate
PubChem CID153297014
Molecular FormulaC32H38O3Si
Molecular Weight498.74 g/mol
Exact Mass498.26
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCCCC(Cc1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H38O3Si/c1-32(2,3)36(4,5)34-20-10-15-30(22-24-16-17-25-11-6-8-13-27(25)21-24)35-31(33)29-19-18-26-12-7-9-14-28(26)23-29/h6-9,11-14,16-19,21,23,30H,10,15,20,22H2,1-5H3
InChIKeyGJMSQXNANZSSIN-UHFFFAOYSA-N
XLogP8.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.74
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 153297041
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
1-phenylethyl naphthalene-2-carboxylate
CID 13356574
trans-(1S,3S)-4-[[(3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid
CID 70187988
(1R,2S,3R,4S)-3-[[(3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butyl]carbamoyl]-4-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 70188664
4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile
CID 18354438
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
(2R)-2-(3,5-dimethylbenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 152927678
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]butanoate
CID 22847939
[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
CID 142626458
[(3R,4S,7R,8R,9S)-12-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-3,7,9-trimethyldodec-1-en-4-yl] benzoate
CID 10746096
1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate
CID 118258856

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate (CID 153297014) is [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate is CC(C)(C)[Si](C)(C)OCCCC(Cc1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate?
The InChIKey is GJMSQXNANZSSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O3Si/c1-32(2,3)36(4,5)34-20-10-15-30(22-24-16-17-25-11-6-8-13-27(25)21-24)35-31(33)29-19-18-26-12-7-9-14-28(26)23-29/h6-9,11-14,16-19,21,23,30H,10,15,20,22H2,1-5H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate?
[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate has a molecular weight of 498.74 g/mol, XLogP of 8.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 153297014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).