methyl spiro[5.5]undec-4-ene-4-carboxylate

C13H20O2 — CID 15701410

IUPACmethyl spiro[5.5]undec-4-ene-4-carboxylate
SMILESCOC(=O)C1=CC2(CCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-12(14)11-6-5-9-13(10-11)7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeySBYSPIAFMQMVFK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds1

About methyl spiro[5.5]undec-4-ene-4-carboxylate

methyl spiro[5.5]undec-4-ene-4-carboxylate (PubChem CID 15701410) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl spiro[5.5]undec-4-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl spiro[5.5]undec-4-ene-4-carboxylate
PubChem CID15701410
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl spiro[5.5]undec-4-ene-4-carboxylate
SMILESCOC(=O)C1=CC2(CCCCC2)CCC1
InChIInChI=1S/C13H20O2/c1-15-12(14)11-6-5-9-13(10-11)7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeySBYSPIAFMQMVFK-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl spiro[5.5]undec-4-ene-4-carboxylate?
The IUPAC name of methyl spiro[5.5]undec-4-ene-4-carboxylate (CID 15701410) is methyl spiro[5.5]undec-4-ene-4-carboxylate.
What is the SMILES notation for methyl spiro[5.5]undec-4-ene-4-carboxylate?
The canonical SMILES for methyl spiro[5.5]undec-4-ene-4-carboxylate is COC(=O)C1=CC2(CCCCC2)CCC1.
What is the InChIKey of methyl spiro[5.5]undec-4-ene-4-carboxylate?
The InChIKey is SBYSPIAFMQMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-12(14)11-6-5-9-13(10-11)7-3-2-4-8-13/h10H,2-9H2,1H3.
What are the key properties of methyl spiro[5.5]undec-4-ene-4-carboxylate?
methyl spiro[5.5]undec-4-ene-4-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl spiro[5.5]undec-4-ene-4-carboxylate is sourced from PubChem (CID 15701410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).