6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene

C11H22S2 — CID 138715651

IUPAC6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene
SMILESC=CC(C)CCC(C)(C)SSCC
InChIInChI=1S/C11H22S2/c1-6-10(3)8-9-11(4,5)13-12-7-2/h6,10H,1,7-9H2,2-5H3
InChIKeyXMUWQSIUMZIRGB-UHFFFAOYSA-N
MW218.43 g/mol
LogP4.77
Rot. Bonds7

About 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene

6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene (PubChem CID 138715651) has the molecular formula C11H22S2 and a molecular weight of 218.43 g/mol. Its IUPAC name is 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene.

Molecular Properties

Compound Name6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene
PubChem CID138715651
Molecular FormulaC11H22S2
Molecular Weight218.43 g/mol
Exact Mass218.12
IUPAC Name6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene
SMILESC=CC(C)CCC(C)(C)SSCC
InChIInChI=1S/C11H22S2/c1-6-10(3)8-9-11(4,5)13-12-7-2/h6,10H,1,7-9H2,2-5H3
InChIKeyXMUWQSIUMZIRGB-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,6S)-7-fluoro-3,6-dimethylhept-1-ene-4-thiol
CID 89110210
6-Fluoro-4-methylocta-1,7-diene-3,5-dithiol
CID 137429114
2-Butyl-4-pentenethiol
CID 129783071
1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
CID 138985190
2,4,6-Trimethyloct-7-ene-1-thiol
CID 20298660
3,4-Bis(ethenyl)hexane-2,5-dithiol
CID 20581910
(Z)-6-methyl-1-(2-methylpropylsulfanyl)hept-1-ene
CID 57892134
(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
CID 58219028
(Z)-6-methyl-1-propan-2-ylsulfanylhept-1-ene
CID 59855724
3-Methyl-6-methylsulfanylhex-1-ene
CID 87187691
3-Methyl-7-methylsulfanylhept-1-ene
CID 87187892
10-Methylundec-1-ene-1-thiol
CID 87708620

Frequently Asked Questions

What is the IUPAC name of 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene?
The IUPAC name of 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene (CID 138715651) is 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene.
What is the SMILES notation for 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene?
The canonical SMILES for 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene is C=CC(C)CCC(C)(C)SSCC.
What is the InChIKey of 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene?
The InChIKey is XMUWQSIUMZIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S2/c1-6-10(3)8-9-11(4,5)13-12-7-2/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene?
6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene has a molecular weight of 218.43 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethyldisulfanyl)-3,6-dimethylhept-1-ene is sourced from PubChem (CID 138715651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).