ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate

C14H22O2 — CID 68725689

IUPACethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CCCC12CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h7,12H,3-6,8-10H2,1-2H3
InChIKeyZJWJKBUBMCFYHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds2

About ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate

ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 68725689) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID68725689
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CCCC12CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h7,12H,3-6,8-10H2,1-2H3
InChIKeyZJWJKBUBMCFYHZ-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 68725689) is ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)C1C(C)=CCCC12CCCC2.
What is the InChIKey of ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is ZJWJKBUBMCFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-16-13(15)12-11(2)7-6-10-14(12)8-4-5-9-14/h7,12H,3-6,8-10H2,1-2H3.
What are the key properties of ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
ethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.47, 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]dec-8-ene-10-carboxylate is sourced from PubChem (CID 68725689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).