spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C10H14O2 — CID 567357

IUPACspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESC1=CC2CC3(OCCO3)C2CC1
InChIInChI=1S/C10H14O2/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10/h1,3,8-9H,2,4-7H2
InChIKeyHUELOGTVFHZTOL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds

About spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 567357) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID567357
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namespiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESC1=CC2CC3(OCCO3)C2CC1
InChIInChI=1S/C10H14O2/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10/h1,3,8-9H,2,4-7H2
InChIKeyHUELOGTVFHZTOL-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 567357) is spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is C1=CC2CC3(OCCO3)C2CC1.
What is the InChIKey of spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is HUELOGTVFHZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-9-8(3-1)7-10(9)11-5-6-12-10/h1,3,8-9H,2,4-7H2.
What are the key properties of spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 166.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 567357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).