1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane

C27H52 — CID 123352709

IUPAC1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane
SMILESCCCCCC(CC)(CCC)CCCCCC1CC1CC1(C)CC1C(C)C
InChIInChI=1S/C27H52/c1-7-10-13-17-27(9-3,16-8-2)18-14-11-12-15-23-19-24(23)20-26(6)21-25(26)22(4)5/h22-25H,7-21H2,1-6H3
InChIKeySCHNHQKNECTKIP-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.42
Rot. Bonds16

About 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane

1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane (PubChem CID 123352709) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane
PubChem CID123352709
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane
SMILESCCCCCC(CC)(CCC)CCCCCC1CC1CC1(C)CC1C(C)C
InChIInChI=1S/C27H52/c1-7-10-13-17-27(9-3,16-8-2)18-14-11-12-15-23-19-24(23)20-26(6)21-25(26)22(4)5/h22-25H,7-21H2,1-6H3
InChIKeySCHNHQKNECTKIP-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.42
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
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
7-butyl-7-ethyltetradecane
CID 174665936
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane?
The IUPAC name of 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane (CID 123352709) is 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane is CCCCCC(CC)(CCC)CCCCCC1CC1CC1(C)CC1C(C)C.
What is the InChIKey of 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane?
The InChIKey is SCHNHQKNECTKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-7-10-13-17-27(9-3,16-8-2)18-14-11-12-15-23-19-24(23)20-26(6)21-25(26)22(4)5/h22-25H,7-21H2,1-6H3.
What are the key properties of 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane?
1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane has a molecular weight of 376.71 g/mol, XLogP of 9.42, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-ethyl-6-propylundecyl)cyclopropyl]methyl]-1-methyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123352709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).