zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)

C30H58O2Si2Zn — CID 10531151

IUPACzinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)
SMILES[H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[Zn+2]
InChIInChI=1S/2C15H29OSi.Zn/c2*1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7;/h2*1,8-10,13-15H,11-12H2,2-7H3;/q2*-1;+2/b2*10-9+;
InChIKeyCMJIRYAPSLSZDH-JGMJEEPBSA-N
MW572.35 g/mol
LogP10.23
Rot. Bonds16

About zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)

zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane) (PubChem CID 10531151) has the molecular formula C30H58O2Si2Zn and a molecular weight of 572.35 g/mol. Its IUPAC name is zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane).

Molecular Properties

Compound Namezinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)
PubChem CID10531151
Molecular FormulaC30H58O2Si2Zn
Molecular Weight572.35 g/mol
Exact Mass570.33
IUPAC Namezinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)
SMILES[H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[Zn+2]
InChIInChI=1S/2C15H29OSi.Zn/c2*1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7;/h2*1,8-10,13-15H,11-12H2,2-7H3;/q2*-1;+2/b2*10-9+;
InChIKeyCMJIRYAPSLSZDH-JGMJEEPBSA-N
XLogP10.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.35
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)?
The IUPAC name of zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane) (CID 10531151) is zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane).
What is the SMILES notation for zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)?
The canonical SMILES for zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane) is [H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[H]/[C-]=C\C=C\CCO[Si](C(C)C)(C(C)C)C(C)C.[Zn+2].
What is the InChIKey of zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)?
The InChIKey is CMJIRYAPSLSZDH-JGMJEEPBSA-N. The full InChI is InChI=1S/2C15H29OSi.Zn/c2*1-8-9-10-11-12-16-17(13(2)3,14(4)5)15(6)7;/h2*1,8-10,13-15H,11-12H2,2-7H3;/q2*-1;+2/b2*10-9+;.
What are the key properties of zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)?
zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane) has a molecular weight of 572.35 g/mol, XLogP of 10.23, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane) is sourced from PubChem (CID 10531151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).