9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol

C12H20O2 — CID 66600327

IUPAC9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
SMILESCC1=CC(C)C2(CCCOC2O)CC1
InChIInChI=1S/C12H20O2/c1-9-4-6-12(10(2)8-9)5-3-7-14-11(12)13/h8,10-11,13H,3-7H2,1-2H3
InChIKeyKHOHGFALDJWEMI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.48
Rot. Bonds

About 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol

9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol (PubChem CID 66600327) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol.

Molecular Properties

Compound Name9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
PubChem CID66600327
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol
SMILESCC1=CC(C)C2(CCCOC2O)CC1
InChIInChI=1S/C12H20O2/c1-9-4-6-12(10(2)8-9)5-3-7-14-11(12)13/h8,10-11,13H,3-7H2,1-2H3
InChIKeyKHOHGFALDJWEMI-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The IUPAC name of 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol (CID 66600327) is 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol.
What is the SMILES notation for 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The canonical SMILES for 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol is CC1=CC(C)C2(CCCOC2O)CC1.
What is the InChIKey of 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
The InChIKey is KHOHGFALDJWEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-4-6-12(10(2)8-9)5-3-7-14-11(12)13/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol?
9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-2-oxaspiro[5.5]undec-9-en-1-ol is sourced from PubChem (CID 66600327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).