5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene

C16H30S2 — CID 90866034

IUPAC5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene
SMILESCCC(C)CCC=CSSC=CCCC(C)CC
InChIInChI=1S/C16H30S2/c1-5-15(3)11-7-9-13-17-18-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyDNZCYSSRIAGHCO-UHFFFAOYSA-N
MW286.55 g/mol
LogP7.05
Rot. Bonds11

About 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene

5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene (PubChem CID 90866034) has the molecular formula C16H30S2 and a molecular weight of 286.55 g/mol. Its IUPAC name is 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene.

Molecular Properties

Compound Name5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene
PubChem CID90866034
Molecular FormulaC16H30S2
Molecular Weight286.55 g/mol
Exact Mass286.18
IUPAC Name5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene
SMILESCCC(C)CCC=CSSC=CCCC(C)CC
InChIInChI=1S/C16H30S2/c1-5-15(3)11-7-9-13-17-18-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyDNZCYSSRIAGHCO-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.55
LogP ≤ 57.05
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene?
The IUPAC name of 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene (CID 90866034) is 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene.
What is the SMILES notation for 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene?
The canonical SMILES for 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene is CCC(C)CCC=CSSC=CCCC(C)CC.
What is the InChIKey of 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene?
The InChIKey is DNZCYSSRIAGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30S2/c1-5-15(3)11-7-9-13-17-18-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3.
What are the key properties of 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene?
5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene has a molecular weight of 286.55 g/mol, XLogP of 7.05, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methylhept-1-enyldisulfanyl)hept-1-ene is sourced from PubChem (CID 90866034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).