1-(8-methylnon-8-enyl)-2-octylcyclopropane

C21H40 — CID 155570149

IUPAC1-(8-methylnon-8-enyl)-2-octylcyclopropane
SMILESC=C(C)CCCCCCCC1CC1CCCCCCCC
InChIInChI=1S/C21H40/c1-4-5-6-7-10-13-16-20-18-21(20)17-14-11-8-9-12-15-19(2)3/h20-21H,2,4-18H2,1,3H3
InChIKeyJPRYEJXNZZTGMA-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.68
Rot. Bonds15

About 1-(8-methylnon-8-enyl)-2-octylcyclopropane

1-(8-methylnon-8-enyl)-2-octylcyclopropane (PubChem CID 155570149) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-(8-methylnon-8-enyl)-2-octylcyclopropane.

Molecular Properties

Compound Name1-(8-methylnon-8-enyl)-2-octylcyclopropane
PubChem CID155570149
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-(8-methylnon-8-enyl)-2-octylcyclopropane
SMILESC=C(C)CCCCCCCC1CC1CCCCCCCC
InChIInChI=1S/C21H40/c1-4-5-6-7-10-13-16-20-18-21(20)17-14-11-8-9-12-15-19(2)3/h20-21H,2,4-18H2,1,3H3
InChIKeyJPRYEJXNZZTGMA-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
2-methyltetradec-1-ene
CID 521375
1,2-dioctylcyclopropane
CID 21337627
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
ethane;2-methyloct-1-ene
CID 143077596
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
2-(8-methylnon-8-enyl)-3-octylaziridine
CID 169210996
1-propyl-2-undecylcyclopropane
CID 123636027
ethane;2-methyloct-1-ene;propane
CID 177190898
9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylnon-8-enyl)-2-octylcyclopropane?
The IUPAC name of 1-(8-methylnon-8-enyl)-2-octylcyclopropane (CID 155570149) is 1-(8-methylnon-8-enyl)-2-octylcyclopropane.
What is the SMILES notation for 1-(8-methylnon-8-enyl)-2-octylcyclopropane?
The canonical SMILES for 1-(8-methylnon-8-enyl)-2-octylcyclopropane is C=C(C)CCCCCCCC1CC1CCCCCCCC.
What is the InChIKey of 1-(8-methylnon-8-enyl)-2-octylcyclopropane?
The InChIKey is JPRYEJXNZZTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-4-5-6-7-10-13-16-20-18-21(20)17-14-11-8-9-12-15-19(2)3/h20-21H,2,4-18H2,1,3H3.
What are the key properties of 1-(8-methylnon-8-enyl)-2-octylcyclopropane?
1-(8-methylnon-8-enyl)-2-octylcyclopropane has a molecular weight of 292.55 g/mol, XLogP of 7.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylnon-8-enyl)-2-octylcyclopropane is sourced from PubChem (CID 155570149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).