1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane

C27H52 — CID 123959869

IUPAC1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
SMILESCCCCCCCCCCCCCCC1CC1CCCCCCC1CC1C
InChIInChI=1S/C27H52/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-26-23-27(26)21-18-15-14-16-19-25-22-24(25)2/h24-27H,3-23H2,1-2H3
InChIKeyZTOXVAXKIJBDNZ-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.71
Rot. Bonds20

About 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane

1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane (PubChem CID 123959869) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane.

Molecular Properties

Compound Name1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
PubChem CID123959869
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
SMILESCCCCCCCCCCCCCCC1CC1CCCCCCC1CC1C
InChIInChI=1S/C27H52/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-26-23-27(26)21-18-15-14-16-19-25-22-24(25)2/h24-27H,3-23H2,1-2H3
InChIKeyZTOXVAXKIJBDNZ-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.71
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-methyl-2-pentadecylcyclopropane
CID 54385825
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-propyl-2-undecylcyclopropane
CID 123636027
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane?
The IUPAC name of 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane (CID 123959869) is 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane.
What is the SMILES notation for 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane?
The canonical SMILES for 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane is CCCCCCCCCCCCCCC1CC1CCCCCCC1CC1C.
What is the InChIKey of 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane?
The InChIKey is ZTOXVAXKIJBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-26-23-27(26)21-18-15-14-16-19-25-22-24(25)2/h24-27H,3-23H2,1-2H3.
What are the key properties of 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane?
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane has a molecular weight of 376.71 g/mol, XLogP of 9.71, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane is sourced from PubChem (CID 123959869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).