ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate

C20H26O3 — CID 21354872

IUPACethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
SMILESCCOC(=O)C(C)(C)C(CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O3/c1-6-18(20(3,4)19(21)23-7-2)16-9-8-15-13-17(22-5)11-10-14(15)12-16/h8-13,18H,6-7H2,1-5H3
InChIKeyCKXPXHNNDRINHS-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.93
Rot. Bonds6

About ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate

ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate (PubChem CID 21354872) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
PubChem CID21354872
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Nameethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
SMILESCCOC(=O)C(C)(C)C(CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O3/c1-6-18(20(3,4)19(21)23-7-2)16-9-8-15-13-17(22-5)11-10-14(15)12-16/h8-13,18H,6-7H2,1-5H3
InChIKeyCKXPXHNNDRINHS-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CID 10599
ethyl (2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-methyl-2-methylsulfanylpropanoate
CID 12982679
1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 141165174
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The IUPAC name of ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate (CID 21354872) is ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate.
What is the SMILES notation for ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The canonical SMILES for ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate is CCOC(=O)C(C)(C)C(CC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The InChIKey is CKXPXHNNDRINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-6-18(20(3,4)19(21)23-7-2)16-9-8-15-13-17(22-5)11-10-14(15)12-16/h8-13,18H,6-7H2,1-5H3.
What are the key properties of ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate has a molecular weight of 314.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate is sourced from PubChem (CID 21354872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).