(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene

C12H18O — CID 101200207

IUPAC(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene
SMILESCC1=CC[C@]2(CC=CCO2)CCC1
InChIInChI=1S/C12H18O/c1-11-5-4-8-12(9-6-11)7-2-3-10-13-12/h2-3,6H,4-5,7-10H2,1H3/t12-/m0/s1
InChIKeyINDBZNGXPMZSQU-LBPRGKRZSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds

About (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene

(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene (PubChem CID 101200207) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene.

Molecular Properties

Compound Name(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene
PubChem CID101200207
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene
SMILESCC1=CC[C@]2(CC=CCO2)CCC1
InChIInChI=1S/C12H18O/c1-11-5-4-8-12(9-6-11)7-2-3-10-13-12/h2-3,6H,4-5,7-10H2,1H3/t12-/m0/s1
InChIKeyINDBZNGXPMZSQU-LBPRGKRZSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene 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 (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene?
The IUPAC name of (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene (CID 101200207) is (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene.
What is the SMILES notation for (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene?
The canonical SMILES for (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene is CC1=CC[C@]2(CC=CCO2)CCC1.
What is the InChIKey of (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene?
The InChIKey is INDBZNGXPMZSQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O/c1-11-5-4-8-12(9-6-11)7-2-3-10-13-12/h2-3,6H,4-5,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene?
(6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-9-methyl-1-oxaspiro[5.6]dodeca-3,8-diene is sourced from PubChem (CID 101200207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).