1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene

C14H24O2 — CID 66600272

IUPAC1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCC(C)C12CCC(C)=CC2C
InChIInChI=1S/C14H24O2/c1-10-5-7-14(12(3)9-10)11(2)6-8-16-13(14)15-4/h9,11-13H,5-8H2,1-4H3
InChIKeyFNSUTBBYSIWXOL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

About 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene

1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene (PubChem CID 66600272) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene
PubChem CID66600272
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCC(C)C12CCC(C)=CC2C
InChIInChI=1S/C14H24O2/c1-10-5-7-14(12(3)9-10)11(2)6-8-16-13(14)15-4/h9,11-13H,5-8H2,1-4H3
InChIKeyFNSUTBBYSIWXOL-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
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 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene?
The IUPAC name of 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene (CID 66600272) is 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene is COC1OCCC(C)C12CCC(C)=CC2C.
What is the InChIKey of 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene?
The InChIKey is FNSUTBBYSIWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-5-7-14(12(3)9-10)11(2)6-8-16-13(14)15-4/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene?
1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,9,11-trimethyl-2-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 66600272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).