methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate

C18H20O3 — CID 11748079

IUPACmethyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCCO1
InChIInChI=1S/C18H20O3/c1-20-18(19)17(16-8-4-5-11-21-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17H,4-5,8,11H2,1H3/t16-,17-/m0/s1
InChIKeyBIVQKVVWOOKOMH-IRXDYDNUSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds3

About methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate

methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate (PubChem CID 11748079) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate
PubChem CID11748079
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCCO1
InChIInChI=1S/C18H20O3/c1-20-18(19)17(16-8-4-5-11-21-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17H,4-5,8,11H2,1H3/t16-,17-/m0/s1
InChIKeyBIVQKVVWOOKOMH-IRXDYDNUSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate?
The IUPAC name of methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate (CID 11748079) is methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate is COC(=O)[C@@H](c1ccc2ccccc2c1)[C@@H]1CCCCO1.
What is the InChIKey of methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate?
The InChIKey is BIVQKVVWOOKOMH-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-18(19)17(16-8-4-5-11-21-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17H,4-5,8,11H2,1H3/t16-,17-/m0/s1.
What are the key properties of methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate?
methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate has a molecular weight of 284.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-naphthalen-2-yl-2-[(2S)-oxan-2-yl]acetate is sourced from PubChem (CID 11748079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).