4-(methylsulfanylmethyl)octane

C10H22S — CID 154986903

IUPAC4-(methylsulfanylmethyl)octane
SMILESCCCCC(CCC)CSC
InChIInChI=1S/C10H22S/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3
InChIKeyQDTSUISDNQTJEF-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.96
Rot. Bonds7

About 4-(methylsulfanylmethyl)octane

4-(methylsulfanylmethyl)octane (PubChem CID 154986903) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)octane.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)octane
PubChem CID154986903
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name4-(methylsulfanylmethyl)octane
SMILESCCCCC(CCC)CSC
InChIInChI=1S/C10H22S/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3
InChIKeyQDTSUISDNQTJEF-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methylsulfanylmethyl)decane
CID 167202079
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
1,1-difluoro-4-propyloctane
CID 142584368
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
6-butyl-4,8-dipropylundecane
CID 158410657
4-(bromomethyl)octane
CID 24880888
4,5-dipropylnonane;5-propylnonane
CID 157465342
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
13-propylheptacosane
CID 90872787

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)octane?
The IUPAC name of 4-(methylsulfanylmethyl)octane (CID 154986903) is 4-(methylsulfanylmethyl)octane.
What is the SMILES notation for 4-(methylsulfanylmethyl)octane?
The canonical SMILES for 4-(methylsulfanylmethyl)octane is CCCCC(CCC)CSC.
What is the InChIKey of 4-(methylsulfanylmethyl)octane?
The InChIKey is QDTSUISDNQTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-4-6-8-10(7-5-2)9-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 4-(methylsulfanylmethyl)octane?
4-(methylsulfanylmethyl)octane has a molecular weight of 174.35 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)octane is sourced from PubChem (CID 154986903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).