1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene

C13H20OS2 — CID 122537689

IUPAC1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene
SMILESCC(C)COc1ccccc1SSC(C)C
InChIInChI=1S/C13H20OS2/c1-10(2)9-14-12-7-5-6-8-13(12)16-15-11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyDKVDYTCIOSVEKH-UHFFFAOYSA-N
MW256.44 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene

1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene (PubChem CID 122537689) has the molecular formula C13H20OS2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene
PubChem CID122537689
Molecular FormulaC13H20OS2
Molecular Weight256.44 g/mol
Exact Mass256.10
IUPAC Name1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene
SMILESCC(C)COc1ccccc1SSC(C)C
InChIInChI=1S/C13H20OS2/c1-10(2)9-14-12-7-5-6-8-13(12)16-15-11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyDKVDYTCIOSVEKH-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
CID 71111467
CID 71111467
1-(3-methylbutyl)-2-(propan-2-yldisulfanyl)benzene
CID 122537578
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
1-[2-(bromomethyl)-3-methylbutoxy]-2-methylsulfanylbenzene
CID 65011771
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
CID 123645398
CID 123645398
2,6-bis(2-methylpropoxy)benzoic acid
CID 15219087
N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene?
The IUPAC name of 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene (CID 122537689) is 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene.
What is the SMILES notation for 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene?
The canonical SMILES for 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene is CC(C)COc1ccccc1SSC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene?
The InChIKey is DKVDYTCIOSVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS2/c1-10(2)9-14-12-7-5-6-8-13(12)16-15-11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene?
1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene has a molecular weight of 256.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-2-(propan-2-yldisulfanyl)benzene is sourced from PubChem (CID 122537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).