trans-(1S,2S)-1-butyl-2-pentylcyclopropane

C12H24 — CID 91692463

IUPACtrans-(1S,2S)-1-butyl-2-pentylcyclopropane
SMILESCCCCC[C@H]1C[C@@H]1CCCC
InChIInChI=1S/C12H24/c1-3-5-7-9-12-10-11(12)8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJATBXZXQOFTTOL-RYUDHWBXSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds7

About trans-(1S,2S)-1-butyl-2-pentylcyclopropane

trans-(1S,2S)-1-butyl-2-pentylcyclopropane (PubChem CID 91692463) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is trans-(1S,2S)-1-butyl-2-pentylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-butyl-2-pentylcyclopropane
PubChem CID91692463
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nametrans-(1S,2S)-1-butyl-2-pentylcyclopropane
SMILESCCCCC[C@H]1C[C@@H]1CCCC
InChIInChI=1S/C12H24/c1-3-5-7-9-12-10-11(12)8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyJATBXZXQOFTTOL-RYUDHWBXSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
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-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
1,2-dioctylcyclopropane
CID 21337627
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
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
(2-butylcyclopropyl)methanamine
CID 90757424
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-butyl-2-pentylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-butyl-2-pentylcyclopropane (CID 91692463) is trans-(1S,2S)-1-butyl-2-pentylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-butyl-2-pentylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-butyl-2-pentylcyclopropane is CCCCC[C@H]1C[C@@H]1CCCC.
What is the InChIKey of trans-(1S,2S)-1-butyl-2-pentylcyclopropane?
The InChIKey is JATBXZXQOFTTOL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24/c1-3-5-7-9-12-10-11(12)8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-1-butyl-2-pentylcyclopropane?
trans-(1S,2S)-1-butyl-2-pentylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-butyl-2-pentylcyclopropane is sourced from PubChem (CID 91692463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).