(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene

C13H22O2 — CID 164818496

IUPAC(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCO[C@H]1OCCC[C@@]12CCC(C)=C[C@@H]2C
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/t11-,12-,13-/m0/s1
InChIKeyFGEXTGIAINVPIO-AVGNSLFASA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

About (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene

(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene (PubChem CID 164818496) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
PubChem CID164818496
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene
SMILESCO[C@H]1OCCC[C@@]12CCC(C)=C[C@@H]2C
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/t11-,12-,13-/m0/s1
InChIKeyFGEXTGIAINVPIO-AVGNSLFASA-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 (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The IUPAC name of (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene (CID 164818496) is (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene is CO[C@H]1OCCC[C@@]12CCC(C)=C[C@@H]2C.
What is the InChIKey of (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
The InChIKey is FGEXTGIAINVPIO-AVGNSLFASA-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/t11-,12-,13-/m0/s1.
What are the key properties of (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene?
(1S,6R,11S)-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 (1S,6R,11S)-1-methoxy-9,11-dimethyl-2-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 164818496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).