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

C13H22O2 — CID 66600706

IUPAC1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCCC12CCC(C)=CC2C
InChIInChI=1S/C13H22O2/c1-10-5-7-13(11(2)9-10)6-4-8-15-12(13)14-3/h9,11-12H,4-8H2,1-3H3
InChIKeyFGEXTGIAINVPIO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

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

1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene (PubChem CID 66600706) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
PubChem CID66600706
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCCC12CCC(C)=CC2C
InChIInChI=1S/C13H22O2/c1-10-5-7-13(11(2)9-10)6-4-8-15-12(13)14-3/h9,11-12H,4-8H2,1-3H3
InChIKeyFGEXTGIAINVPIO-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
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-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The IUPAC name of 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene (CID 66600706) is 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene is COC1OCCCC12CCC(C)=CC2C.
What is the InChIKey of 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The InChIKey is FGEXTGIAINVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-5-7-13(11(2)9-10)6-4-8-15-12(13)14-3/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 66600706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).