trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane

C13H22O2Si — CID 154722307

IUPACtrimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane
SMILESC=CCOC/C=C\COCC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-5-9-14-10-6-7-11-15-12-8-13-16(2,3)4/h5-7H,1,9-12H2,2-4H3/b7-6-
InChIKeyNTQLSUFOOUXIEQ-SREVYHEPSA-N
MW238.40 g/mol
LogP2.64
Rot. Bonds7

About trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane

trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane (PubChem CID 154722307) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane
PubChem CID154722307
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nametrimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane
SMILESC=CCOC/C=C\COCC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-5-9-14-10-6-7-11-15-12-8-13-16(2,3)4/h5-7H,1,9-12H2,2-4H3/b7-6-
InChIKeyNTQLSUFOOUXIEQ-SREVYHEPSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane?
The IUPAC name of trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane (CID 154722307) is trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane is C=CCOC/C=C\COCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane?
The InChIKey is NTQLSUFOOUXIEQ-SREVYHEPSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-9-14-10-6-7-11-15-12-8-13-16(2,3)4/h5-7H,1,9-12H2,2-4H3/b7-6-.
What are the key properties of trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane?
trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane has a molecular weight of 238.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane is sourced from PubChem (CID 154722307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).