ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate

C16H24O4 — CID 90792781

IUPACethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2
InChIInChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3
InChIKeyUYRURCQEPUXWDC-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.01
Rot. Bonds3

About ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate

ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 90792781) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID90792781
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nameethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2
InChIInChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3
InChIKeyUYRURCQEPUXWDC-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 90792781) is ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2.
What is the InChIKey of ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is UYRURCQEPUXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-19-15(18)14-11(2)9-13(20-12(3)17)10-16(14)7-5-6-8-16/h9,13-14H,4-8,10H2,1-3H3.
What are the key properties of ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 280.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 90792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).