10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene

C24H34S — CID 142081858

IUPAC10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCC(CC)SC(CC)CC=CC=CC=CC=C
InChIInChI=1S/C24H34S/c1-5-9-11-13-15-17-19-21-23(7-3)25-24(8-4)22-20-18-16-14-12-10-6-2/h5-6,9-20,23-24H,1-2,7-8,21-22H2,3-4H3
InChIKeySXISTZFSQOZAJG-UHFFFAOYSA-N
MW354.60 g/mol
LogP7.77
Rot. Bonds14

About 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene

10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene (PubChem CID 142081858) has the molecular formula C24H34S and a molecular weight of 354.60 g/mol. Its IUPAC name is 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene.

Molecular Properties

Compound Name10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene
PubChem CID142081858
Molecular FormulaC24H34S
Molecular Weight354.60 g/mol
Exact Mass354.24
IUPAC Name10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CCC(CC)SC(CC)CC=CC=CC=CC=C
InChIInChI=1S/C24H34S/c1-5-9-11-13-15-17-19-21-23(7-3)25-24(8-4)22-20-18-16-14-12-10-6-2/h5-6,9-20,23-24H,1-2,7-8,21-22H2,3-4H3
InChIKeySXISTZFSQOZAJG-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 57.77
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

icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
octa-5,7-dien-3-amine
CID 88768699
(5E)-octa-5,7-dien-3-ol
CID 12576352
(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
CID 143284649
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845

Frequently Asked Questions

What is the IUPAC name of 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene?
The IUPAC name of 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene (CID 142081858) is 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene.
What is the SMILES notation for 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene?
The canonical SMILES for 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene is C=CC=CC=CC=CCC(CC)SC(CC)CC=CC=CC=CC=C.
What is the InChIKey of 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene?
The InChIKey is SXISTZFSQOZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S/c1-5-9-11-13-15-17-19-21-23(7-3)25-24(8-4)22-20-18-16-14-12-10-6-2/h5-6,9-20,23-24H,1-2,7-8,21-22H2,3-4H3.
What are the key properties of 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene?
10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene has a molecular weight of 354.60 g/mol, XLogP of 7.77, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene is sourced from PubChem (CID 142081858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).