2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane

C12H26OS2 — CID 155238043

IUPAC2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane
SMILESCCCSC(C)(C)OSC(C)(C)CCC
InChIInChI=1S/C12H26OS2/c1-7-9-11(3,4)15-13-12(5,6)14-10-8-2/h7-10H2,1-6H3
InChIKeyAETFCDAWHOVDTK-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.11
Rot. Bonds8

About 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane

2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane (PubChem CID 155238043) has the molecular formula C12H26OS2 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane.

Molecular Properties

Compound Name2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane
PubChem CID155238043
Molecular FormulaC12H26OS2
Molecular Weight250.47 g/mol
Exact Mass250.14
IUPAC Name2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane
SMILESCCCSC(C)(C)OSC(C)(C)CCC
InChIInChI=1S/C12H26OS2/c1-7-9-11(3,4)15-13-12(5,6)14-10-8-2/h7-10H2,1-6H3
InChIKeyAETFCDAWHOVDTK-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-propylsulfanylpropan-1-ol
CID 116852243
2-methyl-2-propylsulfanylpentanethioic S-acid
CID 88778175
2-(hydroxymethyl)-2-propylsulfanylpropane-1,3-diol
CID 13136534
methyl 3-methyl-3-propylsulfanylbutanoate
CID 88577551
1-propylsulfanylpropane-1,1,2,2-tetrol
CID 54159409
3-methyl-3-propylsulfanylbutanamide
CID 134505082
CID 101008751
CID 101008751
4-methylheptan-4-yl acetate
CID 58165665
(4R)-4-chloro-4-methyloctane
CID 129374949
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
2-methyl-2-propylsulfanyloctan-4-one
CID 88902576
2-methylpentan-2-ylsulfanyl carbamimidothioate
CID 167113049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane?
The IUPAC name of 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane (CID 155238043) is 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane.
What is the SMILES notation for 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane?
The canonical SMILES for 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane is CCCSC(C)(C)OSC(C)(C)CCC.
What is the InChIKey of 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane?
The InChIKey is AETFCDAWHOVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS2/c1-7-9-11(3,4)15-13-12(5,6)14-10-8-2/h7-10H2,1-6H3.
What are the key properties of 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane?
2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane has a molecular weight of 250.47 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane is sourced from PubChem (CID 155238043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).