methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate

C13H20O2 — CID 68769704

IUPACmethyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2
InChIInChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyCLPTYJSVHWMRNJ-MNOVXSKESA-N
MW208.30 g/mol
LogP2.93
Rot. Bonds1

About methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate

methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate (PubChem CID 68769704) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
PubChem CID68769704
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2
InChIInChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyCLPTYJSVHWMRNJ-MNOVXSKESA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.93
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 methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The IUPAC name of methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate (CID 68769704) is methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate.
What is the SMILES notation for methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The canonical SMILES for methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate is COC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2.
What is the InChIKey of methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The InChIKey is CLPTYJSVHWMRNJ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate is sourced from PubChem (CID 68769704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).