(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol

C24H30O2S2 — CID 102303025

IUPAC(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol
SMILESOCCCC/C(=C/C=C(/CCCCO)Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C24H30O2S2/c25-19-9-7-15-23(27-21-11-3-1-4-12-21)17-18-24(16-8-10-20-26)28-22-13-5-2-6-14-22/h1-6,11-14,17-18,25-26H,7-10,15-16,19-20H2/b23-17-,24-18-
InChIKeyYYQWFRQWODWCKA-BOYKQRMESA-N
MW414.64 g/mol
LogP6.66
Rot. Bonds13

About (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol

(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol (PubChem CID 102303025) has the molecular formula C24H30O2S2 and a molecular weight of 414.64 g/mol. Its IUPAC name is (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol.

Molecular Properties

Compound Name(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol
PubChem CID102303025
Molecular FormulaC24H30O2S2
Molecular Weight414.64 g/mol
Exact Mass414.17
IUPAC Name(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol
SMILESOCCCC/C(=C/C=C(/CCCCO)Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C24H30O2S2/c25-19-9-7-15-23(27-21-11-3-1-4-12-21)17-18-24(16-8-10-20-26)28-22-13-5-2-6-14-22/h1-6,11-14,17-18,25-26H,7-10,15-16,19-20H2/b23-17-,24-18-
InChIKeyYYQWFRQWODWCKA-BOYKQRMESA-N
XLogP6.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
CID 11415071
(E)-3-phenylsulfanyldec-2-enal
CID 15529409
[(1Z,6Z)-1,6,7-tris(phenylsulfanyl)hepta-1,6-dien-2-yl]sulfanylbenzene
CID 11364539
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
CID 71443728
1-bromo-4-[(1Z,7Z)-7-(4-bromophenyl)sulfanyl-1,8-diphenylocta-1,7-dien-2-yl]sulfanylbenzene
CID 102303023
1-S,8-S-diphenyl octanebis(thioate)
CID 587568
[[(1Z,8Z)-9-diphenoxyphosphoryl-2,8-bis(phenylsulfanyl)nona-1,8-dienyl]-phenoxyphosphoryl]oxybenzene
CID 177417692
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
(5Z)-5-phenylsulfanylnona-5,8-dienenitrile
CID 15984358

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol?
The IUPAC name of (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol (CID 102303025) is (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol.
What is the SMILES notation for (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol?
The canonical SMILES for (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol is OCCCC/C(=C/C=C(/CCCCO)Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol?
The InChIKey is YYQWFRQWODWCKA-BOYKQRMESA-N. The full InChI is InChI=1S/C24H30O2S2/c25-19-9-7-15-23(27-21-11-3-1-4-12-21)17-18-24(16-8-10-20-26)28-22-13-5-2-6-14-22/h1-6,11-14,17-18,25-26H,7-10,15-16,19-20H2/b23-17-,24-18-.
What are the key properties of (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol?
(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol has a molecular weight of 414.64 g/mol, XLogP of 6.66, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol is sourced from PubChem (CID 102303025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).