4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene

C20H24S4 — CID 130351854

IUPAC4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
SMILESCCCCCCCCCCc1cc2c(s1)sc1c3ccsc3sc21
InChIInChI=1S/C20H24S4/c1-2-3-4-5-6-7-8-9-10-14-13-16-18-17(24-20(16)22-14)15-11-12-21-19(15)23-18/h11-13H,2-10H2,1H3
InChIKeyCPXLWJHDWYPJOB-UHFFFAOYSA-N
MW392.68 g/mol
LogP9.08
Rot. Bonds9

About 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene

4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene (PubChem CID 130351854) has the molecular formula C20H24S4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene.

Molecular Properties

Compound Name4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
PubChem CID130351854
Molecular FormulaC20H24S4
Molecular Weight392.68 g/mol
Exact Mass392.08
IUPAC Name4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
SMILESCCCCCCCCCCc1cc2c(s1)sc1c3ccsc3sc21
InChIInChI=1S/C20H24S4/c1-2-3-4-5-6-7-8-9-10-14-13-16-18-17(24-20(16)22-14)15-11-12-21-19(15)23-18/h11-13H,2-10H2,1H3
InChIKeyCPXLWJHDWYPJOB-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.68
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene with MolForge

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Related Compounds

4-butyl-11-hexyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351831
6,15-dipentyl-3,5,14,18-tetrathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),6,10,13(17),15-heptaene
CID 130310847
7,25-dioctyl-8,10,12,14,16,18,20,22,24-nonathianonacyclo[15.12.0.02,15.03,13.04,11.05,9.019,29.021,28.023,27]nonacosa-1(17),2(15),3(13),4(11),5(9),6,19(29),21(28),23(27),25-decaene
CID 102488907
7-nonyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410769
4,6-dibromo-2-dodecylthieno[2,3-c]thiophene
CID 67499277
5,10-didecyl-[1]benzothiolo[5,4-e][1]benzothiole
CID 102109231
5,10-didecyl-[1]benzothiolo[7,6-g][1]benzothiole
CID 102109228
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
13,14,15,16-tetrafluoro-4,9-dihexyl-3,10-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1,4,6,8,11,13,15-heptaene
CID 86038081
4-(4-butylthiophen-2-yl)-11-(4-octylthiophen-2-yl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351900
2,5-diheptylthiophene
CID 607114
2-[(E)-2-(4,5-dioctylthieno[3,2-e][1]benzothiol-2-yl)ethenyl]-4,5-dioctylthieno[3,2-e][1]benzothiole
CID 102257987

Frequently Asked Questions

What is the IUPAC name of 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The IUPAC name of 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene (CID 130351854) is 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene.
What is the SMILES notation for 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The canonical SMILES for 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene is CCCCCCCCCCc1cc2c(s1)sc1c3ccsc3sc21.
What is the InChIKey of 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
The InChIKey is CPXLWJHDWYPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S4/c1-2-3-4-5-6-7-8-9-10-14-13-16-18-17(24-20(16)22-14)15-11-12-21-19(15)23-18/h11-13H,2-10H2,1H3.
What are the key properties of 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene?
4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene has a molecular weight of 392.68 g/mol, XLogP of 9.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene is sourced from PubChem (CID 130351854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).