2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane

C12H26S2 — CID 87154489

IUPAC2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane
SMILESCCC(SSC(CC)C(C)C)C(C)C
InChIInChI=1S/C12H26S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3
InChIKeyNYPHXXWKAWKLDI-UHFFFAOYSA-N
MW234.47 g/mol
LogP5.24
Rot. Bonds7

About 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane

2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane (PubChem CID 87154489) has the molecular formula C12H26S2 and a molecular weight of 234.47 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane
PubChem CID87154489
Molecular FormulaC12H26S2
Molecular Weight234.47 g/mol
Exact Mass234.15
IUPAC Name2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane
SMILESCCC(SSC(CC)C(C)C)C(C)C
InChIInChI=1S/C12H26S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3
InChIKeyNYPHXXWKAWKLDI-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diisoamyl disulfide
CID 74915
Disulfide, bis(2-methylpropyl)
CID 80284
Diisoamyl trisulfide
CID 15667721
Di-tert-hexyl disulphide
CID 292856
n-Butyl isopentyl disulphide
CID 537732
2,4-Dimethylpentane-3-thiol
CID 17961908
2,4-Dimethylpentane-1-thiol
CID 57238243
Bis(1,1,3-trimethylbutyl) disulfide
CID 462945
Isopentyl propyl disulfide
CID 525419
1-(Ethyldisulfanyl)-3-methylbutane
CID 525420
Disulfide, 1-methylethyl isopentyl
CID 537719
Trisulfide, bis(2-methylpropyl)
CID 11816652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane?
The IUPAC name of 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane (CID 87154489) is 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane.
What is the SMILES notation for 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane?
The canonical SMILES for 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane is CCC(SSC(CC)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane?
The InChIKey is NYPHXXWKAWKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane?
2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane has a molecular weight of 234.47 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentan-3-yldisulfanyl)pentane is sourced from PubChem (CID 87154489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).