1-propyl-2-undecylcyclopropane

C17H34 — CID 123636027

IUPAC1-propyl-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1CCC
InChIInChI=1S/C17H34/c1-3-5-6-7-8-9-10-11-12-14-17-15-16(17)13-4-2/h16-17H,3-15H2,1-2H3
InChIKeyJSDISVILUNWLGU-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.34
Rot. Bonds12

About 1-propyl-2-undecylcyclopropane

1-propyl-2-undecylcyclopropane (PubChem CID 123636027) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-propyl-2-undecylcyclopropane.

Molecular Properties

Compound Name1-propyl-2-undecylcyclopropane
PubChem CID123636027
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-propyl-2-undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1CCC
InChIInChI=1S/C17H34/c1-3-5-6-7-8-9-10-11-12-14-17-15-16(17)13-4-2/h16-17H,3-15H2,1-2H3
InChIKeyJSDISVILUNWLGU-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.34
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-[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
N-[6-[(1S,2R)-2-[6-(ethylamino)hexyl]cyclopropyl]hexyl]undecan-1-amine
CID 58260275
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
CID 11119363

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-undecylcyclopropane?
The IUPAC name of 1-propyl-2-undecylcyclopropane (CID 123636027) is 1-propyl-2-undecylcyclopropane.
What is the SMILES notation for 1-propyl-2-undecylcyclopropane?
The canonical SMILES for 1-propyl-2-undecylcyclopropane is CCCCCCCCCCCC1CC1CCC.
What is the InChIKey of 1-propyl-2-undecylcyclopropane?
The InChIKey is JSDISVILUNWLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-3-5-6-7-8-9-10-11-12-14-17-15-16(17)13-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-propyl-2-undecylcyclopropane?
1-propyl-2-undecylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-undecylcyclopropane is sourced from PubChem (CID 123636027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).