methyl-methylidene-octyl-λ4-sulfane

C10H22S — CID 101255779

IUPACmethyl-methylidene-octyl-λ4-sulfane
SMILESC=S(C)CCCCCCCC
InChIInChI=1S/C10H22S/c1-4-5-6-7-8-9-10-11(2)3/h2,4-10H2,1,3H3
InChIKeyQCRZYKURYPHQBS-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.68
Rot. Bonds7

About methyl-methylidene-octyl-λ4-sulfane

methyl-methylidene-octyl-λ4-sulfane (PubChem CID 101255779) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is methyl-methylidene-octyl-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-octyl-λ4-sulfane
PubChem CID101255779
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Namemethyl-methylidene-octyl-λ4-sulfane
SMILESC=S(C)CCCCCCCC
InChIInChI=1S/C10H22S/c1-4-5-6-7-8-9-10-11(2)3/h2,4-10H2,1,3H3
InChIKeyQCRZYKURYPHQBS-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfinylpentadecane
CID 15553502
1-methylsulfinylicosane
CID 53482744
ethene;undecane
CID 161157037
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-octyl-λ4-sulfane?
The IUPAC name of methyl-methylidene-octyl-λ4-sulfane (CID 101255779) is methyl-methylidene-octyl-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-octyl-λ4-sulfane?
The canonical SMILES for methyl-methylidene-octyl-λ4-sulfane is C=S(C)CCCCCCCC.
What is the InChIKey of methyl-methylidene-octyl-λ4-sulfane?
The InChIKey is QCRZYKURYPHQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-4-5-6-7-8-9-10-11(2)3/h2,4-10H2,1,3H3.
What are the key properties of methyl-methylidene-octyl-λ4-sulfane?
methyl-methylidene-octyl-λ4-sulfane has a molecular weight of 174.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-octyl-λ4-sulfane is sourced from PubChem (CID 101255779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).