5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

C11H18O2 — CID 20762817

IUPAC5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESCC1C2CC(C1C)C1(C2)OCCO1
InChIInChI=1S/C11H18O2/c1-7-8(2)10-5-9(7)6-11(10)12-3-4-13-11/h7-10H,3-6H2,1-2H3
InChIKeyFUSNKIRTEXWKBX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.04
Rot. Bonds

About 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 20762817) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
PubChem CID20762817
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESCC1C2CC(C1C)C1(C2)OCCO1
InChIInChI=1S/C11H18O2/c1-7-8(2)10-5-9(7)6-11(10)12-3-4-13-11/h7-10H,3-6H2,1-2H3
InChIKeyFUSNKIRTEXWKBX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (CID 20762817) is 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is CC1C2CC(C1C)C1(C2)OCCO1.
What is the InChIKey of 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is FUSNKIRTEXWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-8(2)10-5-9(7)6-11(10)12-3-4-13-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 182.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',6'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 20762817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).