(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]

C11H18O2 — CID 14784827

IUPAC(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]
SMILESC[C@H]1OC2(C[C@H]3CCC[C@H]32)O[C@@H]1C
InChIInChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-9-4-3-5-10(9)11/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyCQUKEOKWORSPJM-ZYUZMQFOSA-N
MW182.26 g/mol
LogP2.33
Rot. Bonds

About (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]

(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane] (PubChem CID 14784827) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane].

Molecular Properties

Compound Name(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]
PubChem CID14784827
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]
SMILESC[C@H]1OC2(C[C@H]3CCC[C@H]32)O[C@@H]1C
InChIInChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-9-4-3-5-10(9)11/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyCQUKEOKWORSPJM-ZYUZMQFOSA-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 (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-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

Frequently Asked Questions

What is the IUPAC name of (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]?
The IUPAC name of (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane] (CID 14784827) is (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane].
What is the SMILES notation for (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]?
The canonical SMILES for (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane] is C[C@H]1OC2(C[C@H]3CCC[C@H]32)O[C@@H]1C.
What is the InChIKey of (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]?
The InChIKey is CQUKEOKWORSPJM-ZYUZMQFOSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-8(2)13-11(12-7)6-9-4-3-5-10(9)11/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]?
(1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-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 (1'R,4R,5R,5'R)-4,5-dimethylspiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane] is sourced from PubChem (CID 14784827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).