3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane

C12H20OSi — CID 10998254

IUPAC3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCOC/C=C/C1CC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)11-5-10-13-9-4-6-12-7-8-12/h4,6,12H,7-10H2,1-3H3/b6-4+
InChIKeyHUWVKINJEYYJLD-GQCTYLIASA-N
MW208.38 g/mol
LogP2.85
Rot. Bonds4

About 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane

3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane (PubChem CID 10998254) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane
PubChem CID10998254
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane
SMILESC[Si](C)(C)C#CCOC/C=C/C1CC1
InChIInChI=1S/C12H20OSi/c1-14(2,3)11-5-10-13-9-4-6-12-7-8-12/h4,6,12H,7-10H2,1-3H3/b6-4+
InChIKeyHUWVKINJEYYJLD-GQCTYLIASA-N
XLogP2.85
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 ≤ 52.85
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane (CID 10998254) is 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane is C[Si](C)(C)C#CCOC/C=C/C1CC1.
What is the InChIKey of 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane?
The InChIKey is HUWVKINJEYYJLD-GQCTYLIASA-N. The full InChI is InChI=1S/C12H20OSi/c1-14(2,3)11-5-10-13-9-4-6-12-7-8-12/h4,6,12H,7-10H2,1-3H3/b6-4+.
What are the key properties of 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane?
3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 10998254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).