2-decylbicyclo[2.2.1]hept-1-ene

C17H30 — CID 22726333

IUPAC2-decylbicyclo[2.2.1]hept-1-ene
SMILESCCCCCCCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C17H30/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15/h15H,2-14H2,1H3
InChIKeySBLFXQDQYURKCC-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.02
Rot. Bonds9

About 2-decylbicyclo[2.2.1]hept-1-ene

2-decylbicyclo[2.2.1]hept-1-ene (PubChem CID 22726333) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-decylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-decylbicyclo[2.2.1]hept-1-ene
PubChem CID22726333
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2-decylbicyclo[2.2.1]hept-1-ene
SMILESCCCCCCCCCCC1=C2CCC(C1)C2
InChIInChI=1S/C17H30/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15/h15H,2-14H2,1H3
InChIKeySBLFXQDQYURKCC-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-decylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-decylbicyclo[2.2.1]hept-1-ene (CID 22726333) is 2-decylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-decylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-decylbicyclo[2.2.1]hept-1-ene is CCCCCCCCCCC1=C2CCC(C1)C2.
What is the InChIKey of 2-decylbicyclo[2.2.1]hept-1-ene?
The InChIKey is SBLFXQDQYURKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15/h15H,2-14H2,1H3.
What are the key properties of 2-decylbicyclo[2.2.1]hept-1-ene?
2-decylbicyclo[2.2.1]hept-1-ene has a molecular weight of 234.43 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22726333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).