spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]

C9H12O2 — CID 12811697

IUPACspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21OCCO1
InChIInChI=1S/C9H12O2/c1-2-8-5-7(1)6-9(8)10-3-4-11-9/h1-2,7-8H,3-6H2
InChIKeyZGQKHLRNYPGNGI-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]

spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 12811697) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID12811697
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namespiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC1=CC2CC1CC21OCCO1
InChIInChI=1S/C9H12O2/c1-2-8-5-7(1)6-9(8)10-3-4-11-9/h1-2,7-8H,3-6H2
InChIKeyZGQKHLRNYPGNGI-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
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-2,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene] (CID 12811697) is spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene] is C1=CC2CC1CC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is ZGQKHLRNYPGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-8-5-7(1)6-9(8)10-3-4-11-9/h1-2,7-8H,3-6H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]?
spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 152.19 g/mol, XLogP of 1.33, 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-2,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 12811697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).