1-(2-methylbutyl)-1-pentylsulfanylcyclopropane

C13H26S — CID 135228154

IUPAC1-(2-methylbutyl)-1-pentylsulfanylcyclopropane
SMILESCCCCCSC1(CC(C)CC)CC1
InChIInChI=1S/C13H26S/c1-4-6-7-10-14-13(8-9-13)11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKeyIYCJNZMYZKSMAX-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.88
Rot. Bonds8

About 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane

1-(2-methylbutyl)-1-pentylsulfanylcyclopropane (PubChem CID 135228154) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane.

Molecular Properties

Compound Name1-(2-methylbutyl)-1-pentylsulfanylcyclopropane
PubChem CID135228154
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-(2-methylbutyl)-1-pentylsulfanylcyclopropane
SMILESCCCCCSC1(CC(C)CC)CC1
InChIInChI=1S/C13H26S/c1-4-6-7-10-14-13(8-9-13)11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKeyIYCJNZMYZKSMAX-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-octylsulfanylcyclopentyl)methylbenzene
CID 4521239
hexane;3-methylnonane
CID 173294071
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(3R)-3-methyloctadecane
CID 98094048
3-methylheptane;octane
CID 144782281
3-methyldodecane
CID 28469
2,4-dimethylhexane;hexane
CID 174686373
(3R)-3-methyltetracosane
CID 162842417
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
2-methyl-3-octylsulfanylpropan-1-amine
CID 66225609
1-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 63407800
3,17-dimethylheptatriacontane
CID 6431061

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane?
The IUPAC name of 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane (CID 135228154) is 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane.
What is the SMILES notation for 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane?
The canonical SMILES for 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane is CCCCCSC1(CC(C)CC)CC1.
What is the InChIKey of 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane?
The InChIKey is IYCJNZMYZKSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-4-6-7-10-14-13(8-9-13)11-12(3)5-2/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane?
1-(2-methylbutyl)-1-pentylsulfanylcyclopropane has a molecular weight of 214.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-1-pentylsulfanylcyclopropane is sourced from PubChem (CID 135228154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).