2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane

C10H14O2 — CID 102058041

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2C1OCCO1
InChIInChI=1S/C10H14O2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-2,7-10H,3-6H2/t7-,8+,9-/m1/s1
InChIKeyBHNFGALCFATBNA-HRDYMLBCSA-N
MW166.22 g/mol
LogP1.57
Rot. Bonds1

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane

2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane (PubChem CID 102058041) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
PubChem CID102058041
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2C1OCCO1
InChIInChI=1S/C10H14O2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-2,7-10H,3-6H2/t7-,8+,9-/m1/s1
InChIKeyBHNFGALCFATBNA-HRDYMLBCSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.57
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 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane (CID 102058041) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane is C1=C[C@H]2C[C@@H]1C[C@H]2C1OCCO1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
The InChIKey is BHNFGALCFATBNA-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-5-7(1)6-9(8)10-11-3-4-12-10/h1-2,7-10H,3-6H2/t7-,8+,9-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane has a molecular weight of 166.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane is sourced from PubChem (CID 102058041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).