ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate

C20H22O3 — CID 172635849

IUPACethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCCOC(=O)C1(C)CC2(COC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-3-23-18(21)19(2)11-20(12-22-13-20)17(19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17H,3,11-13H2,1-2H3
InChIKeyMYFWYULCANEGLM-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.91
Rot. Bonds3

About ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate

ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate (PubChem CID 172635849) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate
PubChem CID172635849
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate
SMILESCCOC(=O)C1(C)CC2(COC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C20H22O3/c1-3-23-18(21)19(2)11-20(12-22-13-20)17(19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17H,3,11-13H2,1-2H3
InChIKeyMYFWYULCANEGLM-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate?
The IUPAC name of ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate (CID 172635849) is ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate.
What is the SMILES notation for ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate?
The canonical SMILES for ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate is CCOC(=O)C1(C)CC2(COC2)C1c1ccc2ccccc2c1.
What is the InChIKey of ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate?
The InChIKey is MYFWYULCANEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-23-18(21)19(2)11-20(12-22-13-20)17(19)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17H,3,11-13H2,1-2H3.
What are the key properties of ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate?
ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-7-naphthalen-2-yl-2-oxaspiro[3.3]heptane-6-carboxylate is sourced from PubChem (CID 172635849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).