2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

C13H24O2 — CID 70492326

IUPAC2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCOC(C)(C)OC1CC2CCCC2(C)C1
InChIInChI=1S/C13H24O2/c1-12(2,14-4)15-11-8-10-6-5-7-13(10,3)9-11/h10-11H,5-9H2,1-4H3
InChIKeySFHAQIOLIIOYBD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene

2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (PubChem CID 70492326) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
PubChem CID70492326
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
SMILESCOC(C)(C)OC1CC2CCCC2(C)C1
InChIInChI=1S/C13H24O2/c1-12(2,14-4)15-11-8-10-6-5-7-13(10,3)9-11/h10-11H,5-9H2,1-4H3
InChIKeySFHAQIOLIIOYBD-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene 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-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The IUPAC name of 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene (CID 70492326) is 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene.
What is the SMILES notation for 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The canonical SMILES for 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is COC(C)(C)OC1CC2CCCC2(C)C1.
What is the InChIKey of 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
The InChIKey is SFHAQIOLIIOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2,14-4)15-11-8-10-6-5-7-13(10,3)9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene?
2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene has a molecular weight of 212.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yloxy)-6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene is sourced from PubChem (CID 70492326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).