spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one

C10H12O3 — CID 90482556

IUPACspiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
SMILESO=C1C2CC2C2(OCCO2)C2CC12
InChIInChI=1S/C10H12O3/c11-9-5-3-7(5)10(8-4-6(8)9)12-1-2-13-10/h5-8H,1-4H2
InChIKeyBXEPXNJZQDKLGV-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.58
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one

spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one (PubChem CID 90482556) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
PubChem CID90482556
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namespiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
SMILESO=C1C2CC2C2(OCCO2)C2CC12
InChIInChI=1S/C10H12O3/c11-9-5-3-7(5)10(8-4-6(8)9)12-1-2-13-10/h5-8H,1-4H2
InChIKeyBXEPXNJZQDKLGV-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one (CID 90482556) is spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one is O=C1C2CC2C2(OCCO2)C2CC12.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one?
The InChIKey is BXEPXNJZQDKLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-9-5-3-7(5)10(8-4-6(8)9)12-1-2-13-10/h5-8H,1-4H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one?
spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one has a molecular weight of 180.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one is sourced from PubChem (CID 90482556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).