1-tert-butylsulfanyl-1-methoxydecane

C15H32OS — CID 23651752

IUPAC1-tert-butylsulfanyl-1-methoxydecane
SMILESCCCCCCCCCC(OC)SC(C)(C)C
InChIInChI=1S/C15H32OS/c1-6-7-8-9-10-11-12-13-14(16-5)17-15(2,3)4/h14H,6-13H2,1-5H3
InChIKeyGDQLZRWCBPNTOQ-UHFFFAOYSA-N
MW260.49 g/mol
LogP5.63
Rot. Bonds10

About 1-tert-butylsulfanyl-1-methoxydecane

1-tert-butylsulfanyl-1-methoxydecane (PubChem CID 23651752) has the molecular formula C15H32OS and a molecular weight of 260.49 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-1-methoxydecane.

Molecular Properties

Compound Name1-tert-butylsulfanyl-1-methoxydecane
PubChem CID23651752
Molecular FormulaC15H32OS
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name1-tert-butylsulfanyl-1-methoxydecane
SMILESCCCCCCCCCC(OC)SC(C)(C)C
InChIInChI=1S/C15H32OS/c1-6-7-8-9-10-11-12-13-14(16-5)17-15(2,3)4/h14H,6-13H2,1-5H3
InChIKeyGDQLZRWCBPNTOQ-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(Octylsulfanyl)heptan-1-ol
CID 42647611
15-Fluoro-1-(3-methylsulfanylbutoxy)hexadecane
CID 126585896
1-Ethoxy-1-methylsulfanyltridecane
CID 13433558
2-Methylsulfanyl-oxacyclotetradecane
CID 15424833
1-Ethylsulfanyl-1-methoxydecane
CID 23651751
2-Methyl-2-octyl-1,3-oxathiane
CID 85699790
O-nonyl butylsulfanylmethanethioate
CID 102149031
1-Methoxy-1-propylsulfanyldecane
CID 134999498
Oxa-14-thiacyclohexadecane
CID 164185884
3-Methoxy-8-(methylthio)decane
CID 552620
Iabknrswbcbjpj-mnovxskesa-
CID 23240277
O-octyl octylsulfanylmethanethioate
CID 5142489

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-1-methoxydecane?
The IUPAC name of 1-tert-butylsulfanyl-1-methoxydecane (CID 23651752) is 1-tert-butylsulfanyl-1-methoxydecane.
What is the SMILES notation for 1-tert-butylsulfanyl-1-methoxydecane?
The canonical SMILES for 1-tert-butylsulfanyl-1-methoxydecane is CCCCCCCCCC(OC)SC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-1-methoxydecane?
The InChIKey is GDQLZRWCBPNTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OS/c1-6-7-8-9-10-11-12-13-14(16-5)17-15(2,3)4/h14H,6-13H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-1-methoxydecane?
1-tert-butylsulfanyl-1-methoxydecane has a molecular weight of 260.49 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-1-methoxydecane is sourced from PubChem (CID 23651752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).