(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene

C16H18S — CID 170360355

IUPAC(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C=C)SC(/C=C\C=C)=C/C=C
InChIInChI=1S/C16H18S/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h5-14H,1-4H2/b13-9-,14-10-,15-11+,16-12+
InChIKeyKSLQIZPUTJRPDT-NTJPYOIESA-N
MW242.39 g/mol
LogP5.34
Rot. Bonds8

About (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene

(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene (PubChem CID 170360355) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
PubChem CID170360355
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C=C)SC(/C=C\C=C)=C/C=C
InChIInChI=1S/C16H18S/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h5-14H,1-4H2/b13-9-,14-10-,15-11+,16-12+
InChIKeyKSLQIZPUTJRPDT-NTJPYOIESA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylhepta-1,3,5-triene
CID 172616518
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene;ethane;(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfanylhepta-1,3,5-triene
CID 144783389
(1E,3Z)-N,N-dimethyl-3-methylsulfanylhexa-1,3,5-trien-1-amine
CID 89332763
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
CID 174032473
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
2-methylsulfanylhexa-1,3,5-triene
CID 123672655
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene (CID 170360355) is (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene is C=C/C=C\C(=C/C=C)SC(/C=C\C=C)=C/C=C.
What is the InChIKey of (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene?
The InChIKey is KSLQIZPUTJRPDT-NTJPYOIESA-N. The full InChI is InChI=1S/C16H18S/c1-5-9-13-15(11-7-3)17-16(12-8-4)14-10-6-2/h5-14H,1-4H2/b13-9-,14-10-,15-11+,16-12+.
What are the key properties of (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene?
(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene has a molecular weight of 242.39 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene is sourced from PubChem (CID 170360355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).