[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)

C11H24OSiZr+2 — CID 172680928

IUPAC[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])CCCCCCOC(C)(C)C
InChIInChI=1S/C11H24OSi.Zr/c1-11(2,3)12-9-7-5-6-8-10-13-4;/h5-10H2,1-4H3;/q;+2
InChIKeyMIVDEJGKBFOONI-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.53
Rot. Bonds7

About [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)

[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+) (PubChem CID 172680928) has the molecular formula C11H24OSiZr+2 and a molecular weight of 291.62 g/mol. Its IUPAC name is [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+).

Molecular Properties

Compound Name[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)
PubChem CID172680928
Molecular FormulaC11H24OSiZr+2
Molecular Weight291.62 g/mol
Exact Mass290.06
IUPAC Name[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])CCCCCCOC(C)(C)C
InChIInChI=1S/C11H24OSi.Zr/c1-11(2,3)12-9-7-5-6-8-10-13-4;/h5-10H2,1-4H3;/q;+2
InChIKeyMIVDEJGKBFOONI-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 18672802

Frequently Asked Questions

What is the IUPAC name of [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)?
The IUPAC name of [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+) (CID 172680928) is [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+).
What is the SMILES notation for [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)?
The canonical SMILES for [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+) is C[Si](=[Zr+2])CCCCCCOC(C)(C)C.
What is the InChIKey of [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)?
The InChIKey is MIVDEJGKBFOONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OSi.Zr/c1-11(2,3)12-9-7-5-6-8-10-13-4;/h5-10H2,1-4H3;/q;+2.
What are the key properties of [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+)?
[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+) has a molecular weight of 291.62 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+) is sourced from PubChem (CID 172680928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).