1-butylsulfanyl-4-methoxypentane

C10H22OS — CID 134896767

IUPAC1-butylsulfanyl-4-methoxypentane
SMILESCCCCSCCCC(C)OC
InChIInChI=1S/C10H22OS/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyMAQNDDIUUZHGJL-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.33
Rot. Bonds8

About 1-butylsulfanyl-4-methoxypentane

1-butylsulfanyl-4-methoxypentane (PubChem CID 134896767) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-butylsulfanyl-4-methoxypentane.

Molecular Properties

Compound Name1-butylsulfanyl-4-methoxypentane
PubChem CID134896767
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-butylsulfanyl-4-methoxypentane
SMILESCCCCSCCCC(C)OC
InChIInChI=1S/C10H22OS/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyMAQNDDIUUZHGJL-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-4-methoxypentane?
The IUPAC name of 1-butylsulfanyl-4-methoxypentane (CID 134896767) is 1-butylsulfanyl-4-methoxypentane.
What is the SMILES notation for 1-butylsulfanyl-4-methoxypentane?
The canonical SMILES for 1-butylsulfanyl-4-methoxypentane is CCCCSCCCC(C)OC.
What is the InChIKey of 1-butylsulfanyl-4-methoxypentane?
The InChIKey is MAQNDDIUUZHGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-butylsulfanyl-4-methoxypentane?
1-butylsulfanyl-4-methoxypentane has a molecular weight of 190.35 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-4-methoxypentane is sourced from PubChem (CID 134896767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).