2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol

C13H22O2 — CID 71429341

IUPAC2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol
SMILESC=C(C)C1CCC(C)(O)C12CCC(C)O2
InChIInChI=1S/C13H22O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h10-11,14H,1,5-8H2,2-4H3
InChIKeyAVEHMXBYNDVAGG-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds1

About 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol

2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol (PubChem CID 71429341) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol
PubChem CID71429341
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol
SMILESC=C(C)C1CCC(C)(O)C12CCC(C)O2
InChIInChI=1S/C13H22O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h10-11,14H,1,5-8H2,2-4H3
InChIKeyAVEHMXBYNDVAGG-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The IUPAC name of 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol (CID 71429341) is 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol.
What is the SMILES notation for 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The canonical SMILES for 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol is C=C(C)C1CCC(C)(O)C12CCC(C)O2.
What is the InChIKey of 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol?
The InChIKey is AVEHMXBYNDVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)11-6-7-12(4,14)13(11)8-5-10(3)15-13/h10-11,14H,1,5-8H2,2-4H3.
What are the key properties of 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol?
2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 71429341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).