4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]

C11H18O2 — CID 581269

IUPAC4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]
SMILESCC1OC2(CCC3CCC32)OC1C
InChIInChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-5-9-3-4-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyPTIILKPJYHSDHY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.33
Rot. Bonds

About 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]

4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] (PubChem CID 581269) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane].

Molecular Properties

Compound Name4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]
PubChem CID581269
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]
SMILESCC1OC2(CCC3CCC32)OC1C
InChIInChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-5-9-3-4-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyPTIILKPJYHSDHY-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] 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

2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
(2R,3R,8S,9S)-8-[[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 10826931
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
CID 123439603
(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]
CID 166792879
2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 130145096
2,2,4-trimethylbicyclo[5.2.0]nonane
CID 123508525
1',4,5-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
CID 575298
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
CID 57379413
(1R,5S,7R)-5,7-dimethyl-6,8-dioxabicyclo[3.2.1]octane
CID 12644663

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]?
The IUPAC name of 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] (CID 581269) is 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane].
What is the SMILES notation for 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]?
The canonical SMILES for 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] is CC1OC2(CCC3CCC32)OC1C.
What is the InChIKey of 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]?
The InChIKey is PTIILKPJYHSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-5-9-3-4-10(9)11/h7-10H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]?
4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] has a molecular weight of 182.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane] is sourced from PubChem (CID 581269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).