9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene

C12H18O — CID 70508352

IUPAC9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene
SMILESC=C1CCCOC12CC=C(C)CC2
InChIInChI=1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13-12/h5H,2-4,6-9H2,1H3
InChIKeyMGDBIPOVJCMEKX-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds

About 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene

9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene (PubChem CID 70508352) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene
PubChem CID70508352
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene
SMILESC=C1CCCOC12CC=C(C)CC2
InChIInChI=1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13-12/h5H,2-4,6-9H2,1H3
InChIKeyMGDBIPOVJCMEKX-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene?
The IUPAC name of 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene (CID 70508352) is 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene is C=C1CCCOC12CC=C(C)CC2.
What is the InChIKey of 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene?
The InChIKey is MGDBIPOVJCMEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13-12/h5H,2-4,6-9H2,1H3.
What are the key properties of 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene?
9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-methylidene-1-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 70508352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).