dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate

C17H28Li2OS2 — CID 134906348

IUPACdilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CO)CC[S-])CC[S-].[Li+].[Li+]
InChIInChI=1S/C17H30OS2.2Li/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19;;/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3;;/q;2*+1/p-2/b15-9+,16-6-,17-7-;;
InChIKeyARXLHTZABCRDEI-JNNPUXBRSA-L
MW326.43 g/mol
LogP-1.76
Rot. Bonds11

About dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate

dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate (PubChem CID 134906348) has the molecular formula C17H28Li2OS2 and a molecular weight of 326.43 g/mol. Its IUPAC name is dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate.

Molecular Properties

Compound Namedilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate
PubChem CID134906348
Molecular FormulaC17H28Li2OS2
Molecular Weight326.43 g/mol
Exact Mass326.19
IUPAC Namedilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate
SMILESC/C(=C/CC/C(=C/CC/C(C)=C/CO)CC[S-])CC[S-].[Li+].[Li+]
InChIInChI=1S/C17H30OS2.2Li/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19;;/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3;;/q;2*+1/p-2/b15-9+,16-6-,17-7-;;
InChIKeyARXLHTZABCRDEI-JNNPUXBRSA-L
XLogP-1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate with MolForge

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Related Compounds

(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
CID 88912397
(2E)-1-[[(2E)-1-hydroxy-3,7-dimethylocta-2,6-dienyl]disulfanyl]-3,7-dimethylocta-2,6-dien-1-ol
CID 141586049
3,7,11-Trimethyl-4-(methylsulfanyl)dodeca-2,6,10-trien-1-ol
CID 71397781
(2E,4S,6E)-3,7,11-trimethyl-4-methylsulfanyldodeca-2,6,10-trien-1-ol
CID 124645539
(2E,4R,6E)-3,7,11-trimethyl-4-methylsulfanyldodeca-2,6,10-trien-1-ol
CID 124932675
(2E,6Z,10Z)-3,11-dimethyl-13-sulfanyl-7-(2-sulfanylethyl)trideca-2,6,10-trien-1-ol
CID 134906349

Frequently Asked Questions

What is the IUPAC name of dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate?
The IUPAC name of dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate (CID 134906348) is dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate.
What is the SMILES notation for dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate?
The canonical SMILES for dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate is C/C(=C/CC/C(=C/CC/C(C)=C/CO)CC[S-])CC[S-].[Li+].[Li+].
What is the InChIKey of dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate?
The InChIKey is ARXLHTZABCRDEI-JNNPUXBRSA-L. The full InChI is InChI=1S/C17H30OS2.2Li/c1-15(9-12-18)5-3-7-17(11-14-20)8-4-6-16(2)10-13-19;;/h6-7,9,18-20H,3-5,8,10-14H2,1-2H3;;/q;2*+1/p-2/b15-9+,16-6-,17-7-;;.
What are the key properties of dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate?
dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate has a molecular weight of 326.43 g/mol, XLogP of -1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(Z,7Z)-7-[(E)-6-hydroxy-4-methylhex-4-enylidene]-3-methylnon-3-ene-1,9-dithiolate is sourced from PubChem (CID 134906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).