1-ethyl-2-(5-methylhexyl)cyclopropane

C12H24 — CID 123182568

IUPAC1-ethyl-2-(5-methylhexyl)cyclopropane
SMILESCCC1CC1CCCCC(C)C
InChIInChI=1S/C12H24/c1-4-11-9-12(11)8-6-5-7-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyLCQXYOOWBWMHGH-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds6

About 1-ethyl-2-(5-methylhexyl)cyclopropane

1-ethyl-2-(5-methylhexyl)cyclopropane (PubChem CID 123182568) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-2-(5-methylhexyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-(5-methylhexyl)cyclopropane
PubChem CID123182568
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-2-(5-methylhexyl)cyclopropane
SMILESCCC1CC1CCCCC(C)C
InChIInChI=1S/C12H24/c1-4-11-9-12(11)8-6-5-7-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyLCQXYOOWBWMHGH-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
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

2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-(6-cyclopropylhexyl)-2-ethylcyclopropane
CID 123193408
1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
CID 58111745
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-methylhexyl)cyclopropane?
The IUPAC name of 1-ethyl-2-(5-methylhexyl)cyclopropane (CID 123182568) is 1-ethyl-2-(5-methylhexyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-(5-methylhexyl)cyclopropane?
The canonical SMILES for 1-ethyl-2-(5-methylhexyl)cyclopropane is CCC1CC1CCCCC(C)C.
What is the InChIKey of 1-ethyl-2-(5-methylhexyl)cyclopropane?
The InChIKey is LCQXYOOWBWMHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-11-9-12(11)8-6-5-7-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-2-(5-methylhexyl)cyclopropane?
1-ethyl-2-(5-methylhexyl)cyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-methylhexyl)cyclopropane is sourced from PubChem (CID 123182568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).