(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane

C25H44S4 — CID 159683667

IUPAC(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
SMILESC/C=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)C.S.S.S.S
InChIInChI=1S/C25H36.4H2S/c1-10-11-12-20(4)22(6)15-16-24(8)25(9)18-17-23(7)21(5)14-13-19(2)3;;;;/h10-18H,1-9H3;4*1H2/b11-10-,20-12+,21-14+,22-15+,23-17+,24-16+,25-18+;;;;
InChIKeyMVNCOERXYMSFOU-QYHSPJGNSA-N
MW472.90 g/mol
LogP8.66
Rot. Bonds7

About (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane

(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane (PubChem CID 159683667) has the molecular formula C25H44S4 and a molecular weight of 472.90 g/mol. Its IUPAC name is (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane.

Molecular Properties

Compound Name(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
PubChem CID159683667
Molecular FormulaC25H44S4
Molecular Weight472.90 g/mol
Exact Mass472.23
IUPAC Name(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
SMILESC/C=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)C.S.S.S.S
InChIInChI=1S/C25H36.4H2S/c1-10-11-12-20(4)22(6)15-16-24(8)25(9)18-17-23(7)21(5)14-13-19(2)3;;;;/h10-18H,1-9H3;4*1H2/b11-10-,20-12+,21-14+,22-15+,23-17+,24-16+,25-18+;;;;
InChIKeyMVNCOERXYMSFOU-QYHSPJGNSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane with MolForge

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Related Compounds

(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
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(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
ethane;(4Z)-2-methylhexa-2,4-diene;nitromethane
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7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
CID 123192453
5-bromo-2-methylocta-2,4,6-triene
CID 90964929
(4E,6Z)-5-bromo-2-methylocta-2,4,6-triene
CID 142113249
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane?
The IUPAC name of (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane (CID 159683667) is (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane.
What is the SMILES notation for (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane?
The canonical SMILES for (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane is C/C=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)\C(C)=C\C=C(C)C.S.S.S.S.
What is the InChIKey of (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane?
The InChIKey is MVNCOERXYMSFOU-QYHSPJGNSA-N. The full InChI is InChI=1S/C25H36.4H2S/c1-10-11-12-20(4)22(6)15-16-24(8)25(9)18-17-23(7)21(5)14-13-19(2)3;;;;/h10-18H,1-9H3;4*1H2/b11-10-,20-12+,21-14+,22-15+,23-17+,24-16+,25-18+;;;;.
What are the key properties of (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane?
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane has a molecular weight of 472.90 g/mol, XLogP of 8.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane is sourced from PubChem (CID 159683667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).