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

C15H22O4 — CID 68772768

IUPACmethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2
InChIInChI=1S/C15H22O4/c1-10-8-12(19-11(2)16)9-15(6-4-5-7-15)13(10)14(17)18-3/h8,12-13H,4-7,9H2,1-3H3
InChIKeyMZUSXMHSYSJLLN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds2

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

methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 68772768) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID68772768
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2
InChIInChI=1S/C15H22O4/c1-10-8-12(19-11(2)16)9-15(6-4-5-7-15)13(10)14(17)18-3/h8,12-13H,4-7,9H2,1-3H3
InChIKeyMZUSXMHSYSJLLN-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
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 methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 68772768) is methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is COC(=O)C1C(C)=CC(OC(C)=O)CC12CCCC2.
What is the InChIKey of methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is MZUSXMHSYSJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10-8-12(19-11(2)16)9-15(6-4-5-7-15)13(10)14(17)18-3/h8,12-13H,4-7,9H2,1-3H3.
What are the key properties of methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate?
methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-acetyloxy-9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 68772768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).