1-ethyl-1-hexyl-2,3-dimethylcyclopropane

C13H26 — CID 123758014

IUPAC1-ethyl-1-hexyl-2,3-dimethylcyclopropane
SMILESCCCCCCC1(CC)C(C)C1C
InChIInChI=1S/C13H26/c1-5-7-8-9-10-13(6-2)11(3)12(13)4/h11-12H,5-10H2,1-4H3
InChIKeyFGHNLLIENHNQCS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds6

About 1-ethyl-1-hexyl-2,3-dimethylcyclopropane

1-ethyl-1-hexyl-2,3-dimethylcyclopropane (PubChem CID 123758014) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-1-hexyl-2,3-dimethylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-hexyl-2,3-dimethylcyclopropane
PubChem CID123758014
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-1-hexyl-2,3-dimethylcyclopropane
SMILESCCCCCCC1(CC)C(C)C1C
InChIInChI=1S/C13H26/c1-5-7-8-9-10-13(6-2)11(3)12(13)4/h11-12H,5-10H2,1-4H3
InChIKeyFGHNLLIENHNQCS-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
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

1,3-diethyl-2,4-diisocyanato-1,3-dioctylcyclobutane
CID 102249704
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
2-ethyl-3-methyl-2-pentyloxirane
CID 154091449
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-hexyl-2,3-dimethylcyclopropane?
The IUPAC name of 1-ethyl-1-hexyl-2,3-dimethylcyclopropane (CID 123758014) is 1-ethyl-1-hexyl-2,3-dimethylcyclopropane.
What is the SMILES notation for 1-ethyl-1-hexyl-2,3-dimethylcyclopropane?
The canonical SMILES for 1-ethyl-1-hexyl-2,3-dimethylcyclopropane is CCCCCCC1(CC)C(C)C1C.
What is the InChIKey of 1-ethyl-1-hexyl-2,3-dimethylcyclopropane?
The InChIKey is FGHNLLIENHNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-8-9-10-13(6-2)11(3)12(13)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-1-hexyl-2,3-dimethylcyclopropane?
1-ethyl-1-hexyl-2,3-dimethylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-hexyl-2,3-dimethylcyclopropane is sourced from PubChem (CID 123758014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).