1-butyl-2-hexylcyclopropene

C13H24 — CID 134897823

IUPAC1-butyl-2-hexylcyclopropene
SMILESCCCCCCC1=C(CCCC)C1
InChIInChI=1S/C13H24/c1-3-5-7-8-10-13-11-12(13)9-6-4-2/h3-11H2,1-2H3
InChIKeyCPYHBWWJHJSIIM-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.85
Rot. Bonds8

About 1-butyl-2-hexylcyclopropene

1-butyl-2-hexylcyclopropene (PubChem CID 134897823) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-butyl-2-hexylcyclopropene.

Molecular Properties

Compound Name1-butyl-2-hexylcyclopropene
PubChem CID134897823
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-butyl-2-hexylcyclopropene
SMILESCCCCCCC1=C(CCCC)C1
InChIInChI=1S/C13H24/c1-3-5-7-8-10-13-11-12(13)9-6-4-2/h3-11H2,1-2H3
InChIKeyCPYHBWWJHJSIIM-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.85
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-diheptylcyclopropene
CID 557048
7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416
10-(2-butylcyclopropen-1-yl)decanoic acid
CID 70182082
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
1-bromo-2-nonylcyclopropene
CID 22621660
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
1,2-dihexylcyclohexene
CID 19795043
(1Z)-1,2-dipentylcyclononene
CID 134981785
1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
CID 174767286
1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
CID 175795883
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
CID 10688292
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hexylcyclopropene?
The IUPAC name of 1-butyl-2-hexylcyclopropene (CID 134897823) is 1-butyl-2-hexylcyclopropene.
What is the SMILES notation for 1-butyl-2-hexylcyclopropene?
The canonical SMILES for 1-butyl-2-hexylcyclopropene is CCCCCCC1=C(CCCC)C1.
What is the InChIKey of 1-butyl-2-hexylcyclopropene?
The InChIKey is CPYHBWWJHJSIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-7-8-10-13-11-12(13)9-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1-butyl-2-hexylcyclopropene?
1-butyl-2-hexylcyclopropene has a molecular weight of 180.33 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hexylcyclopropene is sourced from PubChem (CID 134897823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).