1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol

C20H34O2S2 — CID 139888264

IUPAC1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
SMILESCC(C)=CCCC(C)(O)C=CSSC=CC(C)(O)CCC=C(C)C
InChIInChI=1S/C20H34O2S2/c1-17(2)9-7-11-19(5,21)13-15-23-24-16-14-20(6,22)12-8-10-18(3)4/h9-10,13-16,21-22H,7-8,11-12H2,1-6H3
InChIKeyUQZIKCOYPVVNBI-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.39
Rot. Bonds11

About 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol

1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol (PubChem CID 139888264) has the molecular formula C20H34O2S2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
PubChem CID139888264
Molecular FormulaC20H34O2S2
Molecular Weight370.62 g/mol
Exact Mass370.20
IUPAC Name1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
SMILESCC(C)=CCCC(C)(O)C=CSSC=CC(C)(O)CCC=C(C)C
InChIInChI=1S/C20H34O2S2/c1-17(2)9-7-11-19(5,21)13-15-23-24-16-14-20(6,22)12-8-10-18(3)4/h9-10,13-16,21-22H,7-8,11-12H2,1-6H3
InChIKeyUQZIKCOYPVVNBI-UHFFFAOYSA-N
XLogP6.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol with MolForge

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Related Compounds

1-methoxy-3,7-dimethylocta-1,6-dien-3-ol
CID 154089045
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol
CID 102331982
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365
ethyl (3E)-5-hydroxy-5,9-dimethyl-2-oxodeca-3,8-dienoate
CID 102338563
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
(2S)-6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
CID 46845040

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol?
The IUPAC name of 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol (CID 139888264) is 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol is CC(C)=CCCC(C)(O)C=CSSC=CC(C)(O)CCC=C(C)C.
What is the InChIKey of 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol?
The InChIKey is UQZIKCOYPVVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2S2/c1-17(2)9-7-11-19(5,21)13-15-23-24-16-14-20(6,22)12-8-10-18(3)4/h9-10,13-16,21-22H,7-8,11-12H2,1-6H3.
What are the key properties of 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol?
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol has a molecular weight of 370.62 g/mol, XLogP of 6.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 139888264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).