1-hexyl-1,2,2,3-tetramethylcyclopropane

C13H25- — CID 91472273

IUPAC1-hexyl-1,2,2,3-tetramethylcyclopropane
SMILESCCCCCCC1(C)[C-](C)C1(C)C
InChIInChI=1S/C13H25/c1-6-7-8-9-10-13(5)11(2)12(13,3)4/h6-10H2,1-5H3/q-1
InChIKeyYLKANGNCHWAHTR-UHFFFAOYSA-N
MW181.34 g/mol
LogP4.60
Rot. Bonds5

About 1-hexyl-1,2,2,3-tetramethylcyclopropane

1-hexyl-1,2,2,3-tetramethylcyclopropane (PubChem CID 91472273) has the molecular formula C13H25- and a molecular weight of 181.34 g/mol. Its IUPAC name is 1-hexyl-1,2,2,3-tetramethylcyclopropane.

Molecular Properties

Compound Name1-hexyl-1,2,2,3-tetramethylcyclopropane
PubChem CID91472273
Molecular FormulaC13H25-
Molecular Weight181.34 g/mol
Exact Mass181.20
IUPAC Name1-hexyl-1,2,2,3-tetramethylcyclopropane
SMILESCCCCCCC1(C)[C-](C)C1(C)C
InChIInChI=1S/C13H25/c1-6-7-8-9-10-13(5)11(2)12(13,3)4/h6-10H2,1-5H3/q-1
InChIKeyYLKANGNCHWAHTR-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,2,2,3-tetramethylcyclopropane?
The IUPAC name of 1-hexyl-1,2,2,3-tetramethylcyclopropane (CID 91472273) is 1-hexyl-1,2,2,3-tetramethylcyclopropane.
What is the SMILES notation for 1-hexyl-1,2,2,3-tetramethylcyclopropane?
The canonical SMILES for 1-hexyl-1,2,2,3-tetramethylcyclopropane is CCCCCCC1(C)[C-](C)C1(C)C.
What is the InChIKey of 1-hexyl-1,2,2,3-tetramethylcyclopropane?
The InChIKey is YLKANGNCHWAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25/c1-6-7-8-9-10-13(5)11(2)12(13,3)4/h6-10H2,1-5H3/q-1.
What are the key properties of 1-hexyl-1,2,2,3-tetramethylcyclopropane?
1-hexyl-1,2,2,3-tetramethylcyclopropane has a molecular weight of 181.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,2,2,3-tetramethylcyclopropane is sourced from PubChem (CID 91472273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).