1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane

C22H42 — CID 23590146

IUPAC1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
SMILESCCCCC1CC1CCCCCCCCC1CC1CCCC
InChIInChI=1S/C22H42/c1-3-5-13-19-17-21(19)15-11-9-7-8-10-12-16-22-18-20(22)14-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyJWMXWLKVUPYKKL-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.76
Rot. Bonds15

About 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane

1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane (PubChem CID 23590146) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
PubChem CID23590146
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
SMILESCCCCC1CC1CCCCCCCCC1CC1CCCC
InChIInChI=1S/C22H42/c1-3-5-13-19-17-21(19)15-11-9-7-8-10-12-16-22-18-20(22)14-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyJWMXWLKVUPYKKL-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-propyl-2-undecylcyclopropane
CID 123636027
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
(2-butylcyclopropyl)methanamine
CID 90757424
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane?
The IUPAC name of 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane (CID 23590146) is 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane.
What is the SMILES notation for 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane?
The canonical SMILES for 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane is CCCCC1CC1CCCCCCCCC1CC1CCCC.
What is the InChIKey of 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane?
The InChIKey is JWMXWLKVUPYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-3-5-13-19-17-21(19)15-11-9-7-8-10-12-16-22-18-20(22)14-6-4-2/h19-22H,3-18H2,1-2H3.
What are the key properties of 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane?
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane has a molecular weight of 306.58 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane is sourced from PubChem (CID 23590146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).