1-ethenylcubane

C10H10 — CID 54231926

IUPAC1-ethenylcubane
SMILESC=CC12C3C4C5C3C1C5C42
InChIInChI=1S/C10H10/c1-2-10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,1H2
InChIKeyQJWUCZMWYUVDCQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.54
Rot. Bonds1

About 1-ethenylcubane

1-ethenylcubane (PubChem CID 54231926) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-ethenylcubane.

Molecular Properties

Compound Name1-ethenylcubane
PubChem CID54231926
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1-ethenylcubane
SMILESC=CC12C3C4C5C3C1C5C42
InChIInChI=1S/C10H10/c1-2-10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,1H2
InChIKeyQJWUCZMWYUVDCQ-UHFFFAOYSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-ethenylcubane?
The IUPAC name of 1-ethenylcubane (CID 54231926) is 1-ethenylcubane.
What is the SMILES notation for 1-ethenylcubane?
The canonical SMILES for 1-ethenylcubane is C=CC12C3C4C5C3C1C5C42.
What is the InChIKey of 1-ethenylcubane?
The InChIKey is QJWUCZMWYUVDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-2-10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,1H2.
What are the key properties of 1-ethenylcubane?
1-ethenylcubane has a molecular weight of 130.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcubane is sourced from PubChem (CID 54231926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).