8-(2-bicyclo[2.2.1]hept-5-enyl)octanal

C15H24O — CID 59748238

IUPAC8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
SMILESO=CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C15H24O/c16-10-6-4-2-1-3-5-7-14-11-13-8-9-15(14)12-13/h8-10,13-15H,1-7,11-12H2
InChIKeyKODUKUXSCUXZKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds8

About 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal

8-(2-bicyclo[2.2.1]hept-5-enyl)octanal (PubChem CID 59748238) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal.

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
PubChem CID59748238
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
SMILESO=CCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C15H24O/c16-10-6-4-2-1-3-5-7-14-11-13-8-9-15(14)12-13/h8-10,13-15H,1-7,11-12H2
InChIKeyKODUKUXSCUXZKH-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-(6,6,6-trifluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 135202055
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
cesium 10-(2-bicyclo[2.2.1]hept-5-enyl)decanoate
CID 140796846
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
2-[6-(2-bicyclo[2.2.1]hept-5-enyl)hexyl]oxetane
CID 126481118
1-[8-(2-bicyclo[2.2.1]hept-5-enyl)octyl]pyrrole-2,5-dione
CID 21431928

Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal?
The IUPAC name of 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal (CID 59748238) is 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal.
What is the SMILES notation for 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal?
The canonical SMILES for 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal is O=CCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal?
The InChIKey is KODUKUXSCUXZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c16-10-6-4-2-1-3-5-7-14-11-13-8-9-15(14)12-13/h8-10,13-15H,1-7,11-12H2.
What are the key properties of 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal?
8-(2-bicyclo[2.2.1]hept-5-enyl)octanal has a molecular weight of 220.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]hept-5-enyl)octanal is sourced from PubChem (CID 59748238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).