naphthalen-2-ylmethyl 4-methylpentanoate

C17H20O2 — CID 135060928

IUPACnaphthalen-2-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-13(2)7-10-17(18)19-12-14-8-9-15-5-3-4-6-16(15)11-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3
InChIKeyRQPPHVKETHXTOC-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.32
Rot. Bonds5

About naphthalen-2-ylmethyl 4-methylpentanoate

naphthalen-2-ylmethyl 4-methylpentanoate (PubChem CID 135060928) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 4-methylpentanoate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 4-methylpentanoate
PubChem CID135060928
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Namenaphthalen-2-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-13(2)7-10-17(18)19-12-14-8-9-15-5-3-4-6-16(15)11-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3
InChIKeyRQPPHVKETHXTOC-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144
1-O-(naphthalen-2-ylmethyl) 4-O-pentan-3-yl butanedioate
CID 91717333
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
4-O-(2,2-dichloroethyl) 1-O-(naphthalen-2-ylmethyl) butanedioate
CID 91717334
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
1-O-(2-methylpropyl) 3-O-(naphthalen-2-ylmethyl) 2,2-dimethylpropanedioate
CID 91717272
1-O-(naphthalen-2-ylmethyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91717224
1-O-(naphthalen-2-ylmethyl) 5-O-oct-1-en-3-yl pentanedioate
CID 91717323
5-O-hex-4-yn-3-yl 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717290
1-O-(8-chlorooctyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717152
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 4-methylpentanoate?
The IUPAC name of naphthalen-2-ylmethyl 4-methylpentanoate (CID 135060928) is naphthalen-2-ylmethyl 4-methylpentanoate.
What is the SMILES notation for naphthalen-2-ylmethyl 4-methylpentanoate?
The canonical SMILES for naphthalen-2-ylmethyl 4-methylpentanoate is CC(C)CCC(=O)OCc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethyl 4-methylpentanoate?
The InChIKey is RQPPHVKETHXTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)7-10-17(18)19-12-14-8-9-15-5-3-4-6-16(15)11-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3.
What are the key properties of naphthalen-2-ylmethyl 4-methylpentanoate?
naphthalen-2-ylmethyl 4-methylpentanoate has a molecular weight of 256.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 4-methylpentanoate is sourced from PubChem (CID 135060928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).