3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane

C7H12O2 — CID 163523755

IUPAC3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
SMILESCC(C)C1CC2OC2O1
InChIInChI=1S/C7H12O2/c1-4(2)5-3-6-7(8-5)9-6/h4-7H,3H2,1-2H3
InChIKeyDMZRTXATHADBIQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.16
Rot. Bonds1

About 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane

3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane (PubChem CID 163523755) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
PubChem CID163523755
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
SMILESCC(C)C1CC2OC2O1
InChIInChI=1S/C7H12O2/c1-4(2)5-3-6-7(8-5)9-6/h4-7H,3H2,1-2H3
InChIKeyDMZRTXATHADBIQ-UHFFFAOYSA-N
XLogP1.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,4S,6S)-4-propan-2-yl-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101255575
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(2S,3aS,6aS)-6-methylidene-2-propan-2-yl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-one
CID 10702580
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane
CID 59227326
2,6-di(propan-2-yl)oxane
CID 58987631
(3aR,5S,6aR)-5-[(2R)-1-fluoropropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 157100750
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(3R,4R,6R)-3-amino-2-methyl-6-propan-2-yloxan-4-ol
CID 89411183
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(1S,3S,4S,5R,7S)-7-methyl-3-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 177073250

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane (CID 163523755) is 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane is CC(C)C1CC2OC2O1.
What is the InChIKey of 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is DMZRTXATHADBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4(2)5-3-6-7(8-5)9-6/h4-7H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane?
3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 128.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 163523755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).