6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C13H20O2 — CID 56987188

IUPAC6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)C12CCC=CC1CC21OCCO1
InChIInChI=1S/C13H20O2/c1-10(2)12-6-4-3-5-11(12)9-13(12)14-7-8-15-13/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyBALQSSHZPBCXJI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds1

About 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 56987188) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID56987188
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)C12CCC=CC1CC21OCCO1
InChIInChI=1S/C13H20O2/c1-10(2)12-6-4-3-5-11(12)9-13(12)14-7-8-15-13/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyBALQSSHZPBCXJI-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
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 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 56987188) is 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CC(C)C12CCC=CC1CC21OCCO1.
What is the InChIKey of 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is BALQSSHZPBCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)12-6-4-3-5-11(12)9-13(12)14-7-8-15-13/h3,5,10-11H,4,6-9H2,1-2H3.
What are the key properties of 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 208.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 56987188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).