[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate

C16H18O2 — CID 11447877

IUPAC[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-11(2)16(17)18-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12H,1-3H3/t12-/m0/s1
InChIKeyUMVVLPVRCRGGPB-LBPRGKRZSA-N
MW242.32 g/mol
LogP4.10
Rot. Bonds3

About [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate

[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate (PubChem CID 11447877) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate
PubChem CID11447877
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-11(2)16(17)18-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12H,1-3H3/t12-/m0/s1
InChIKeyUMVVLPVRCRGGPB-LBPRGKRZSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate (CID 11447877) is [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate is CC(C)C(=O)O[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate?
The InChIKey is UMVVLPVRCRGGPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(2)16(17)18-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12H,1-3H3/t12-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate?
[(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-1-ylethyl] 2-methylpropanoate is sourced from PubChem (CID 11447877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).