trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane

C12H20OSi — CID 11138321

IUPACtrimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane
SMILESC=C(C)/C=C/COCC#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-12(2)8-6-9-13-10-7-11-14(3,4)5/h6,8H,1,9-10H2,2-5H3/b8-6+
InChIKeyNKKGXKSNFZUDGW-SOFGYWHQSA-N
MW208.38 g/mol
LogP3.02
Rot. Bonds4

About trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane

trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane (PubChem CID 11138321) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane
PubChem CID11138321
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametrimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane
SMILESC=C(C)/C=C/COCC#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-12(2)8-6-9-13-10-7-11-14(3,4)5/h6,8H,1,9-10H2,2-5H3/b8-6+
InChIKeyNKKGXKSNFZUDGW-SOFGYWHQSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.02
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane?
The IUPAC name of trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane (CID 11138321) is trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane is C=C(C)/C=C/COCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane?
The InChIKey is NKKGXKSNFZUDGW-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H20OSi/c1-12(2)8-6-9-13-10-7-11-14(3,4)5/h6,8H,1,9-10H2,2-5H3/b8-6+.
What are the key properties of trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane?
trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane has a molecular weight of 208.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(2E)-4-methylpenta-2,4-dienoxy]prop-1-ynyl]silane is sourced from PubChem (CID 11138321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).