ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate

C14H20O2 — CID 68723801

IUPACethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC=CC12CCCC2
InChIInChI=1S/C14H20O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyKOIUONQPHPSWPR-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds2

About ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate

ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate (PubChem CID 68723801) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate.

Molecular Properties

Compound Nameethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate
PubChem CID68723801
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC=CC12CCCC2
InChIInChI=1S/C14H20O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyKOIUONQPHPSWPR-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate?
The IUPAC name of ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate (CID 68723801) is ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate.
What is the SMILES notation for ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate?
The canonical SMILES for ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate is CCOC(=O)C1C(C)=CC=CC12CCCC2.
What is the InChIKey of ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate?
The InChIKey is KOIUONQPHPSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate?
ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methylspiro[4.5]deca-6,8-diene-10-carboxylate is sourced from PubChem (CID 68723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).