methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate

C13H18O2 — CID 68723174

IUPACmethyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
SMILESCOC(=O)C1=C(C)C=CCC12CCCC2
InChIInChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJPWPBWLAHMIPOG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds1

About methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate

methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate (PubChem CID 68723174) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
PubChem CID68723174
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namemethyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
SMILESCOC(=O)C1=C(C)C=CCC12CCCC2
InChIInChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJPWPBWLAHMIPOG-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate?
The IUPAC name of methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate (CID 68723174) is methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate.
What is the SMILES notation for methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate?
The canonical SMILES for methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate is COC(=O)C1=C(C)C=CCC12CCCC2.
What is the InChIKey of methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate?
The InChIKey is JPWPBWLAHMIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate?
methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate has a molecular weight of 206.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate is sourced from PubChem (CID 68723174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).