tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane

C17H29F3OSi — CID 132542107

IUPACtri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane
SMILESCC(C)[Si](C#CCOCC/C=C\C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C17H29F3OSi/c1-14(2)22(15(3)4,16(5)6)13-9-12-21-11-8-7-10-17(18,19)20/h7,10,14-16H,8,11-12H2,1-6H3/b10-7-
InChIKeyQGOKDZMNVULLHR-YFHOEESVSA-N
MW334.50 g/mol
LogP5.73
Rot. Bonds7

About tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane

tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane (PubChem CID 132542107) has the molecular formula C17H29F3OSi and a molecular weight of 334.50 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane
PubChem CID132542107
Molecular FormulaC17H29F3OSi
Molecular Weight334.50 g/mol
Exact Mass334.19
IUPAC Nametri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane
SMILESCC(C)[Si](C#CCOCC/C=C\C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C17H29F3OSi/c1-14(2)22(15(3)4,16(5)6)13-9-12-21-11-8-7-10-17(18,19)20/h7,10,14-16H,8,11-12H2,1-6H3/b10-7-
InChIKeyQGOKDZMNVULLHR-YFHOEESVSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.73
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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Related Compounds

3-[(Z)-hex-3-enoxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 145444564

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane (CID 132542107) is tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane is CC(C)[Si](C#CCOCC/C=C\C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane?
The InChIKey is QGOKDZMNVULLHR-YFHOEESVSA-N. The full InChI is InChI=1S/C17H29F3OSi/c1-14(2)22(15(3)4,16(5)6)13-9-12-21-11-8-7-10-17(18,19)20/h7,10,14-16H,8,11-12H2,1-6H3/b10-7-.
What are the key properties of tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane?
tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane has a molecular weight of 334.50 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-[(Z)-5,5,5-trifluoropent-3-enoxy]prop-1-ynyl]silane is sourced from PubChem (CID 132542107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).