3-butylsulfanyl-1-methoxy-3-methylbutane

C10H22OS — CID 86117668

IUPAC3-butylsulfanyl-1-methoxy-3-methylbutane
SMILESCCCCSC(C)(C)CCOC
InChIInChI=1S/C10H22OS/c1-5-6-9-12-10(2,3)7-8-11-4/h5-9H2,1-4H3
InChIKeyKAZQRSUKYUKDGZ-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.33
Rot. Bonds7

About 3-butylsulfanyl-1-methoxy-3-methylbutane

3-butylsulfanyl-1-methoxy-3-methylbutane (PubChem CID 86117668) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-butylsulfanyl-1-methoxy-3-methylbutane.

Molecular Properties

Compound Name3-butylsulfanyl-1-methoxy-3-methylbutane
PubChem CID86117668
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-butylsulfanyl-1-methoxy-3-methylbutane
SMILESCCCCSC(C)(C)CCOC
InChIInChI=1S/C10H22OS/c1-5-6-9-12-10(2,3)7-8-11-4/h5-9H2,1-4H3
InChIKeyKAZQRSUKYUKDGZ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
1-Butoxy-2-butylmercaptoethane
CID 86145645
1-Butoxy-2-ethylmercaptoethane
CID 129809308
2,5-Diisopropyl-1,3-oxathiane
CID 557698
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
Butyraldehyde di-t-butyl thioacetal
CID 129804305
Acetone dibutyl thioketal
CID 129805801
Butoxybutylmercaptoethane
CID 129809132
1-Butoxy-1-ethylmercaptoethane
CID 129809395
1,3-Oxathiane, 5-tert.-butyl-
CID 552725
1,3-Oxathiane, 5-isopropyl-2-methyl-
CID 557922

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-1-methoxy-3-methylbutane?
The IUPAC name of 3-butylsulfanyl-1-methoxy-3-methylbutane (CID 86117668) is 3-butylsulfanyl-1-methoxy-3-methylbutane.
What is the SMILES notation for 3-butylsulfanyl-1-methoxy-3-methylbutane?
The canonical SMILES for 3-butylsulfanyl-1-methoxy-3-methylbutane is CCCCSC(C)(C)CCOC.
What is the InChIKey of 3-butylsulfanyl-1-methoxy-3-methylbutane?
The InChIKey is KAZQRSUKYUKDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-5-6-9-12-10(2,3)7-8-11-4/h5-9H2,1-4H3.
What are the key properties of 3-butylsulfanyl-1-methoxy-3-methylbutane?
3-butylsulfanyl-1-methoxy-3-methylbutane has a molecular weight of 190.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-1-methoxy-3-methylbutane is sourced from PubChem (CID 86117668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).