1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane

C11H24OS2 — CID 134254751

IUPAC1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane
SMILESCOCC(CC(C)(C)C)SSC(C)C
InChIInChI=1S/C11H24OS2/c1-9(2)13-14-10(8-12-6)7-11(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyJMFFRBBJFSNMTN-UHFFFAOYSA-N
MW236.45 g/mol
LogP4.23
Rot. Bonds6

About 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane

1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane (PubChem CID 134254751) has the molecular formula C11H24OS2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane.

Molecular Properties

Compound Name1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane
PubChem CID134254751
Molecular FormulaC11H24OS2
Molecular Weight236.45 g/mol
Exact Mass236.13
IUPAC Name1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane
SMILESCOCC(CC(C)(C)C)SSC(C)C
InChIInChI=1S/C11H24OS2/c1-9(2)13-14-10(8-12-6)7-11(3,4)5/h9-10H,7-8H2,1-6H3
InChIKeyJMFFRBBJFSNMTN-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane?
The IUPAC name of 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane (CID 134254751) is 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane.
What is the SMILES notation for 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane?
The canonical SMILES for 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane is COCC(CC(C)(C)C)SSC(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane?
The InChIKey is JMFFRBBJFSNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS2/c1-9(2)13-14-10(8-12-6)7-11(3,4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane?
1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane has a molecular weight of 236.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethyl-2-(propan-2-yldisulfanyl)pentane is sourced from PubChem (CID 134254751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).