1-ethenyl-2-octylcyclobutane;tetradec-1-ene

C28H54 — CID 173458281

IUPAC1-ethenyl-2-octylcyclobutane;tetradec-1-ene
SMILESC=CC1CCC1CCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H26.C14H28/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4,13-14H,2-3,5-12H2,1H3;3H,1,4-14H2,2H3
InChIKeyRQOCGBCTCYWCQA-UHFFFAOYSA-N
MW390.74 g/mol
LogP10.43
Rot. Bonds19

About 1-ethenyl-2-octylcyclobutane;tetradec-1-ene

1-ethenyl-2-octylcyclobutane;tetradec-1-ene (PubChem CID 173458281) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 1-ethenyl-2-octylcyclobutane;tetradec-1-ene.

Molecular Properties

Compound Name1-ethenyl-2-octylcyclobutane;tetradec-1-ene
PubChem CID173458281
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name1-ethenyl-2-octylcyclobutane;tetradec-1-ene
SMILESC=CC1CCC1CCCCCCCC.C=CCCCCCCCCCCCC
InChIInChI=1S/C14H26.C14H28/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4,13-14H,2-3,5-12H2,1H3;3H,1,4-14H2,2H3
InChIKeyRQOCGBCTCYWCQA-UHFFFAOYSA-N
XLogP10.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 510.43
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-ethenyl-2-octylcyclobutane
CID 173458282
1-decyl-2-hexylcyclopropane;dodec-1-ene;hexadecane
CID 91501691
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
1,4-bis(ethenyl)-2-heptylcyclopentane
CID 140793772
2-heptyl-5-hex-5-enyl-1-methylpyrrolidine
CID 597281
dec-1-ene;ethene
CID 161044144

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-octylcyclobutane;tetradec-1-ene?
The IUPAC name of 1-ethenyl-2-octylcyclobutane;tetradec-1-ene (CID 173458281) is 1-ethenyl-2-octylcyclobutane;tetradec-1-ene.
What is the SMILES notation for 1-ethenyl-2-octylcyclobutane;tetradec-1-ene?
The canonical SMILES for 1-ethenyl-2-octylcyclobutane;tetradec-1-ene is C=CC1CCC1CCCCCCCC.C=CCCCCCCCCCCCC.
What is the InChIKey of 1-ethenyl-2-octylcyclobutane;tetradec-1-ene?
The InChIKey is RQOCGBCTCYWCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C14H28/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4,13-14H,2-3,5-12H2,1H3;3H,1,4-14H2,2H3.
What are the key properties of 1-ethenyl-2-octylcyclobutane;tetradec-1-ene?
1-ethenyl-2-octylcyclobutane;tetradec-1-ene has a molecular weight of 390.74 g/mol, XLogP of 10.43, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-octylcyclobutane;tetradec-1-ene is sourced from PubChem (CID 173458281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).