7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane

C19H40S2 — CID 166997699

IUPAC7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane
SMILESCCCCCCC(CCCCCC)[C@@H](CC)SSC(C)C
InChIInChI=1S/C19H40S2/c1-6-9-11-13-15-18(16-14-12-10-7-2)19(8-3)21-20-17(4)5/h17-19H,6-16H2,1-5H3/t19-/m1/s1
InChIKeyCBAFKHWZTHUTIQ-LJQANCHMSA-N
MW332.66 g/mol
LogP8.11
Rot. Bonds15

About 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane

7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane (PubChem CID 166997699) has the molecular formula C19H40S2 and a molecular weight of 332.66 g/mol. Its IUPAC name is 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane.

Molecular Properties

Compound Name7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane
PubChem CID166997699
Molecular FormulaC19H40S2
Molecular Weight332.66 g/mol
Exact Mass332.26
IUPAC Name7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane
SMILESCCCCCCC(CCCCCC)[C@@H](CC)SSC(C)C
InChIInChI=1S/C19H40S2/c1-6-9-11-13-15-18(16-14-12-10-7-2)19(8-3)21-20-17(4)5/h17-19H,6-16H2,1-5H3/t19-/m1/s1
InChIKeyCBAFKHWZTHUTIQ-LJQANCHMSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(1S)-3-fluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 155048515
6-[(1S)-2-chloro-1-(propan-2-yldisulfanyl)ethyl]undecane
CID 155048678
6-[3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145623
6-[(1R)-3,3-difluoro-1-(propan-2-yldisulfanyl)propyl]dodecane
CID 170145624
6-[(1R)-2,2,2-trichloro-1-(propan-2-yldisulfanyl)ethyl]dodecane
CID 155048463
9,10-diethyloctadecane
CID 530164
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
19-heptadecan-3-ylnonatriacontane
CID 57212477
8-propan-2-ylpentadecane
CID 153475308
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane?
The IUPAC name of 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane (CID 166997699) is 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane.
What is the SMILES notation for 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane?
The canonical SMILES for 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane is CCCCCCC(CCCCCC)[C@@H](CC)SSC(C)C.
What is the InChIKey of 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane?
The InChIKey is CBAFKHWZTHUTIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H40S2/c1-6-9-11-13-15-18(16-14-12-10-7-2)19(8-3)21-20-17(4)5/h17-19H,6-16H2,1-5H3/t19-/m1/s1.
What are the key properties of 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane?
7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane has a molecular weight of 332.66 g/mol, XLogP of 8.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-(propan-2-yldisulfanyl)propyl]tridecane is sourced from PubChem (CID 166997699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).