(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]

C12H20O2 — CID 51669756

IUPAC(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
SMILESC[C@@H]1[C@H]2C[C@H](CC23OCCO3)C1(C)C
InChIInChI=1S/C12H20O2/c1-8-10-6-9(11(8,2)3)7-12(10)13-4-5-14-12/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyWHQKRYIZYBWNIB-OPRDCNLKSA-N
MW196.29 g/mol
LogP2.43
Rot. Bonds

About (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]

(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] (PubChem CID 51669756) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
PubChem CID51669756
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
SMILESC[C@@H]1[C@H]2C[C@H](CC23OCCO3)C1(C)C
InChIInChI=1S/C12H20O2/c1-8-10-6-9(11(8,2)3)7-12(10)13-4-5-14-12/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyWHQKRYIZYBWNIB-OPRDCNLKSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]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,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The IUPAC name of (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] (CID 51669756) is (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane].
What is the SMILES notation for (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The canonical SMILES for (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] is C[C@@H]1[C@H]2C[C@H](CC23OCCO3)C1(C)C.
What is the InChIKey of (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The InChIKey is WHQKRYIZYBWNIB-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-10-6-9(11(8,2)3)7-12(10)13-4-5-14-12/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m1/s1.
What are the key properties of (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] has a molecular weight of 196.29 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 51669756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).