1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C20H26O5 — CID 141165174

IUPAC1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCOC(C)(OCC)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O5/c1-6-23-20(4,24-7-2)25-19(21)14(3)15-8-9-17-13-18(22-5)11-10-16(17)12-15/h8-14H,6-7H2,1-5H3/t14-/m0/s1
InChIKeyQMAMWGPESMYNTR-AWEZNQCLSA-N
MW346.42 g/mol
LogP4.24
Rot. Bonds8

About 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 141165174) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID141165174
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCOC(C)(OCC)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O5/c1-6-23-20(4,24-7-2)25-19(21)14(3)15-8-9-17-13-18(22-5)11-10-16(17)12-15/h8-14H,6-7H2,1-5H3/t14-/m0/s1
InChIKeyQMAMWGPESMYNTR-AWEZNQCLSA-N
XLogP4.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034845
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 21354872
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 141165174) is 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is CCOC(C)(OCC)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is QMAMWGPESMYNTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26O5/c1-6-23-20(4,24-7-2)25-19(21)14(3)15-8-9-17-13-18(22-5)11-10-16(17)12-15/h8-14H,6-7H2,1-5H3/t14-/m0/s1.
What are the key properties of 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 346.42 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 141165174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).