4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene

C14H26S2 — CID 91367361

IUPAC4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene
SMILESCCC(C)CC=CSSC=CCC(C)CC
InChIInChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyLTHXNWWEKVEULJ-UHFFFAOYSA-N
MW258.50 g/mol
LogP6.27
Rot. Bonds9

About 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene

4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene (PubChem CID 91367361) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene.

Molecular Properties

Compound Name4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene
PubChem CID91367361
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Name4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene
SMILESCCC(C)CC=CSSC=CCC(C)CC
InChIInChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyLTHXNWWEKVEULJ-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 56.27
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 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene?
The IUPAC name of 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene (CID 91367361) is 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene.
What is the SMILES notation for 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene?
The canonical SMILES for 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene is CCC(C)CC=CSSC=CCC(C)CC.
What is the InChIKey of 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene?
The InChIKey is LTHXNWWEKVEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3.
What are the key properties of 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene?
4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene has a molecular weight of 258.50 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylhex-1-enyldisulfanyl)hex-1-ene is sourced from PubChem (CID 91367361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).