trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane

C9H18OSi — CID 10964963

IUPACtrimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane
SMILESC/C=C/C(C)=C/O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-7-9(2)8-10-11(3,4)5/h6-8H,1-5H3/b7-6+,9-8+
InChIKeyKCWJPELNBSKTNR-BLHCBFLLSA-N
MW170.33 g/mol
LogP3.32
Rot. Bonds3

About trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane

trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane (PubChem CID 10964963) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane
PubChem CID10964963
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Nametrimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane
SMILESC/C=C/C(C)=C/O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-7-9(2)8-10-11(3,4)5/h6-8H,1-5H3/b7-6+,9-8+
InChIKeyKCWJPELNBSKTNR-BLHCBFLLSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane?
The IUPAC name of trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane (CID 10964963) is trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane?
The canonical SMILES for trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane is C/C=C/C(C)=C/O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane?
The InChIKey is KCWJPELNBSKTNR-BLHCBFLLSA-N. The full InChI is InChI=1S/C9H18OSi/c1-6-7-9(2)8-10-11(3,4)5/h6-8H,1-5H3/b7-6+,9-8+.
What are the key properties of trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane?
trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane has a molecular weight of 170.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,3E)-2-methylpenta-1,3-dienoxy]silane is sourced from PubChem (CID 10964963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).