5-decan-2-ylbicyclo[2.2.1]hept-2-ene

C17H30 — CID 58604181

IUPAC5-decan-2-ylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H30/c1-3-4-5-6-7-8-9-14(2)17-13-15-10-11-16(17)12-15/h10-11,14-17H,3-9,12-13H2,1-2H3
InChIKeyXBHDGKGCIZMEQT-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds8

About 5-decan-2-ylbicyclo[2.2.1]hept-2-ene

5-decan-2-ylbicyclo[2.2.1]hept-2-ene (PubChem CID 58604181) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 5-decan-2-ylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-decan-2-ylbicyclo[2.2.1]hept-2-ene
PubChem CID58604181
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name5-decan-2-ylbicyclo[2.2.1]hept-2-ene
SMILESCCCCCCCCC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H30/c1-3-4-5-6-7-8-9-14(2)17-13-15-10-11-16(17)12-15/h10-11,14-17H,3-9,12-13H2,1-2H3
InChIKeyXBHDGKGCIZMEQT-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)butan-1-amine
CID 18320482
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
4-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43761165
octan-2-ylcyclopropane
CID 18968125
5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
CID 140644902
5-but-3-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 22561154
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl decanoate
CID 177453546

Frequently Asked Questions

What is the IUPAC name of 5-decan-2-ylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-decan-2-ylbicyclo[2.2.1]hept-2-ene (CID 58604181) is 5-decan-2-ylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-decan-2-ylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-decan-2-ylbicyclo[2.2.1]hept-2-ene is CCCCCCCCC(C)C1CC2C=CC1C2.
What is the InChIKey of 5-decan-2-ylbicyclo[2.2.1]hept-2-ene?
The InChIKey is XBHDGKGCIZMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-4-5-6-7-8-9-14(2)17-13-15-10-11-16(17)12-15/h10-11,14-17H,3-9,12-13H2,1-2H3.
What are the key properties of 5-decan-2-ylbicyclo[2.2.1]hept-2-ene?
5-decan-2-ylbicyclo[2.2.1]hept-2-ene has a molecular weight of 234.43 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decan-2-ylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58604181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).