2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]

C12H20O2 — CID 15319386

IUPAC2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
SMILESCC1C2CC(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
InChIKeyWHQKRYIZYBWNIB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.43
Rot. Bonds

About 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]

2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] (PubChem CID 15319386) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
PubChem CID15319386
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
SMILESCC1C2CC(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
InChIKeyWHQKRYIZYBWNIB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The IUPAC name of 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] (CID 15319386) is 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] is CC1C2CC(CC23OCCO3)C1(C)C.
What is the InChIKey of 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
The InChIKey is WHQKRYIZYBWNIB-UHFFFAOYSA-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.
What are the key properties of 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]?
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 2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 15319386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).