butyl 2-methyl-3-naphthalen-2-ylpropanoate

C18H22O2 — CID 102047735

IUPACbutyl 2-methyl-3-naphthalen-2-ylpropanoate
SMILESCCCCOC(=O)C(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22O2/c1-3-4-11-20-18(19)14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyHNFWNSPPUBNMMH-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.36
Rot. Bonds6

About butyl 2-methyl-3-naphthalen-2-ylpropanoate

butyl 2-methyl-3-naphthalen-2-ylpropanoate (PubChem CID 102047735) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl 2-methyl-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namebutyl 2-methyl-3-naphthalen-2-ylpropanoate
PubChem CID102047735
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Namebutyl 2-methyl-3-naphthalen-2-ylpropanoate
SMILESCCCCOC(=O)C(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22O2/c1-3-4-11-20-18(19)14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyHNFWNSPPUBNMMH-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
CID 102138109
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 156677951
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130

Frequently Asked Questions

What is the IUPAC name of butyl 2-methyl-3-naphthalen-2-ylpropanoate?
The IUPAC name of butyl 2-methyl-3-naphthalen-2-ylpropanoate (CID 102047735) is butyl 2-methyl-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for butyl 2-methyl-3-naphthalen-2-ylpropanoate?
The canonical SMILES for butyl 2-methyl-3-naphthalen-2-ylpropanoate is CCCCOC(=O)C(C)Cc1ccc2ccccc2c1.
What is the InChIKey of butyl 2-methyl-3-naphthalen-2-ylpropanoate?
The InChIKey is HNFWNSPPUBNMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-4-11-20-18(19)14(2)12-15-9-10-16-7-5-6-8-17(16)13-15/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of butyl 2-methyl-3-naphthalen-2-ylpropanoate?
butyl 2-methyl-3-naphthalen-2-ylpropanoate has a molecular weight of 270.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methyl-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 102047735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).