zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide

C16H32OSiZn — CID 177442884

IUPACzinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide
SMILES[CH3-].[H]/[C-]=C\C=C\CCC[C@@H](C)O[Si](C)(C)C(C)(C)C.[Zn+2]
InChIInChI=1S/C15H29OSi.CH3.Zn/c1-8-9-10-11-12-13-14(2)16-17(6,7)15(3,4)5;;/h1,8-10,14H,11-13H2,2-7H3;1H3;/q2*-1;+2/b10-9+;;/t14-;;/m1../s1
InChIKeyYIHMYTAAMHQDQQ-UVXWEWESSA-N
MW333.91 g/mol
LogP5.56
Rot. Bonds7

About zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide

zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide (PubChem CID 177442884) has the molecular formula C16H32OSiZn and a molecular weight of 333.91 g/mol. Its IUPAC name is zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide.

Molecular Properties

Compound Namezinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide
PubChem CID177442884
Molecular FormulaC16H32OSiZn
Molecular Weight333.91 g/mol
Exact Mass332.15
IUPAC Namezinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide
SMILES[CH3-].[H]/[C-]=C\C=C\CCC[C@@H](C)O[Si](C)(C)C(C)(C)C.[Zn+2]
InChIInChI=1S/C15H29OSi.CH3.Zn/c1-8-9-10-11-12-13-14(2)16-17(6,7)15(3,4)5;;/h1,8-10,14H,11-13H2,2-7H3;1H3;/q2*-1;+2/b10-9+;;/t14-;;/m1../s1
InChIKeyYIHMYTAAMHQDQQ-UVXWEWESSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide?
The IUPAC name of zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide (CID 177442884) is zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide.
What is the SMILES notation for zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide?
The canonical SMILES for zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide is [CH3-].[H]/[C-]=C\C=C\CCC[C@@H](C)O[Si](C)(C)C(C)(C)C.[Zn+2].
What is the InChIKey of zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide?
The InChIKey is YIHMYTAAMHQDQQ-UVXWEWESSA-N. The full InChI is InChI=1S/C15H29OSi.CH3.Zn/c1-8-9-10-11-12-13-14(2)16-17(6,7)15(3,4)5;;/h1,8-10,14H,11-13H2,2-7H3;1H3;/q2*-1;+2/b10-9+;;/t14-;;/m1../s1.
What are the key properties of zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide?
zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide has a molecular weight of 333.91 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;tert-butyl-dimethyl-[(2R,6E)-nona-6,8-dien-2-yl]oxysilane;carbanide is sourced from PubChem (CID 177442884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).