spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]

C11H16O2 — CID 58694829

IUPACspiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]
SMILESC1=CCC2CCC(C1)C21OCCO1
InChIInChI=1S/C11H16O2/c1-2-4-10-6-5-9(3-1)11(10)12-7-8-13-11/h1-2,9-10H,3-8H2
InChIKeyJACHQJMBDVQUQT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds

About spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]

spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene] (PubChem CID 58694829) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]
PubChem CID58694829
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namespiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]
SMILESC1=CCC2CCC(C1)C21OCCO1
InChIInChI=1S/C11H16O2/c1-2-4-10-6-5-9(3-1)11(10)12-7-8-13-11/h1-2,9-10H,3-8H2
InChIKeyJACHQJMBDVQUQT-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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-2,9'-bicyclo[4.2.1]non-3-ene]?
The IUPAC name of spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene] (CID 58694829) is spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene].
What is the SMILES notation for spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]?
The canonical SMILES for spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene] is C1=CCC2CCC(C1)C21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]?
The InChIKey is JACHQJMBDVQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-4-10-6-5-9(3-1)11(10)12-7-8-13-11/h1-2,9-10H,3-8H2.
What are the key properties of spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene]?
spiro[1,3-dioxolane-2,9'-bicyclo[4.2.1]non-3-ene] has a molecular weight of 180.25 g/mol, XLogP of 2.11, 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-2,9'-bicyclo[4.2.1]non-3-ene] is sourced from PubChem (CID 58694829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).