1,2-dioctylcyclopropane

C19H38 — CID 21337627

IUPAC1,2-dioctylcyclopropane
SMILESCCCCCCCCC1CC1CCCCCCCC
InChIInChI=1S/C19H38/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyZNDKBWCPUAOQFE-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.12
Rot. Bonds14

About 1,2-dioctylcyclopropane

1,2-dioctylcyclopropane (PubChem CID 21337627) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,2-dioctylcyclopropane.

Molecular Properties

Compound Name1,2-dioctylcyclopropane
PubChem CID21337627
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,2-dioctylcyclopropane
SMILESCCCCCCCCC1CC1CCCCCCCC
InChIInChI=1S/C19H38/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyZNDKBWCPUAOQFE-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.12
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-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
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
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
1-methyl-2-pentadecylcyclopropane
CID 54385825

Frequently Asked Questions

What is the IUPAC name of 1,2-dioctylcyclopropane?
The IUPAC name of 1,2-dioctylcyclopropane (CID 21337627) is 1,2-dioctylcyclopropane.
What is the SMILES notation for 1,2-dioctylcyclopropane?
The canonical SMILES for 1,2-dioctylcyclopropane is CCCCCCCCC1CC1CCCCCCCC.
What is the InChIKey of 1,2-dioctylcyclopropane?
The InChIKey is ZNDKBWCPUAOQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-3-5-7-9-11-13-15-18-17-19(18)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 1,2-dioctylcyclopropane?
1,2-dioctylcyclopropane has a molecular weight of 266.51 g/mol, XLogP of 7.12, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioctylcyclopropane is sourced from PubChem (CID 21337627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).