1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane

C23H44 — CID 123325960

IUPAC1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
SMILESCCCCC1CC1CCCC(C)(C)CCCCC1CC1CCC
InChIInChI=1S/C23H44/c1-5-7-12-20-18-22(20)14-10-16-23(3,4)15-9-8-13-21-17-19(21)11-6-2/h19-22H,5-18H2,1-4H3
InChIKeyDTGUQJJXGLCIQK-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.01
Rot. Bonds14

About 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane

1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane (PubChem CID 123325960) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
PubChem CID123325960
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
SMILESCCCCC1CC1CCCC(C)(C)CCCCC1CC1CCC
InChIInChI=1S/C23H44/c1-5-7-12-20-18-22(20)14-10-16-23(3,4)15-9-8-13-21-17-19(21)11-6-2/h19-22H,5-18H2,1-4H3
InChIKeyDTGUQJJXGLCIQK-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.01
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-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
(2-butylcyclopropyl)methanamine
CID 90757424
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424
16,16,21,21-tetramethylhexatriacontane
CID 174880889
azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
CID 175336315

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane?
The IUPAC name of 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane (CID 123325960) is 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane.
What is the SMILES notation for 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane?
The canonical SMILES for 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane is CCCCC1CC1CCCC(C)(C)CCCCC1CC1CCC.
What is the InChIKey of 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane?
The InChIKey is DTGUQJJXGLCIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-5-7-12-20-18-22(20)14-10-16-23(3,4)15-9-8-13-21-17-19(21)11-6-2/h19-22H,5-18H2,1-4H3.
What are the key properties of 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane?
1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane has a molecular weight of 320.61 g/mol, XLogP of 8.01, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane is sourced from PubChem (CID 123325960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).