1-hexyl-2-undecylcyclopropane

C20H40 — CID 58049498

IUPAC1-hexyl-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1CCCCCC
InChIInChI=1S/C20H40/c1-3-5-7-9-10-11-12-13-15-17-20-18-19(20)16-14-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyKLBCKTNTAGOGET-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.51
Rot. Bonds15

About 1-hexyl-2-undecylcyclopropane

1-hexyl-2-undecylcyclopropane (PubChem CID 58049498) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-hexyl-2-undecylcyclopropane.

Molecular Properties

Compound Name1-hexyl-2-undecylcyclopropane
PubChem CID58049498
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-hexyl-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1CCCCCC
InChIInChI=1S/C20H40/c1-3-5-7-9-10-11-12-13-15-17-20-18-19(20)16-14-8-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyKLBCKTNTAGOGET-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.51
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

1,2-dioctylcyclopropane
CID 21337627
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-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
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
CID 11119363
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
1-methyl-2-pentadecylcyclopropane
CID 54385825

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-undecylcyclopropane?
The IUPAC name of 1-hexyl-2-undecylcyclopropane (CID 58049498) is 1-hexyl-2-undecylcyclopropane.
What is the SMILES notation for 1-hexyl-2-undecylcyclopropane?
The canonical SMILES for 1-hexyl-2-undecylcyclopropane is CCCCCCCCCCCC1CC1CCCCCC.
What is the InChIKey of 1-hexyl-2-undecylcyclopropane?
The InChIKey is KLBCKTNTAGOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-3-5-7-9-10-11-12-13-15-17-20-18-19(20)16-14-8-6-4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of 1-hexyl-2-undecylcyclopropane?
1-hexyl-2-undecylcyclopropane has a molecular weight of 280.54 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-undecylcyclopropane is sourced from PubChem (CID 58049498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).