tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane

C21H38O2Si — CID 25224044

IUPACtri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
SMILESC=CCOC[C@@H](/C=C\CC)OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-9-11-13-21(17-22-14-10-2)23-15-12-16-24(18(3)4,19(5)6)20(7)8/h10-11,13,18-21H,2,9,14-15,17H2,1,3-8H3/b13-11-/t21-/m1/s1
InChIKeyCJYWQPZYYNIBJL-JNSUZQQQSA-N
MW350.62 g/mol
LogP5.76
Rot. Bonds11

About tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane

tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane (PubChem CID 25224044) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
PubChem CID25224044
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
SMILESC=CCOC[C@@H](/C=C\CC)OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-9-11-13-21(17-22-14-10-2)23-15-12-16-24(18(3)4,19(5)6)20(7)8/h10-11,13,18-21H,2,9,14-15,17H2,1,3-8H3/b13-11-/t21-/m1/s1
InChIKeyCJYWQPZYYNIBJL-JNSUZQQQSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.76
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 tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane (CID 25224044) is tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane is C=CCOC[C@@H](/C=C\CC)OCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?
The InChIKey is CJYWQPZYYNIBJL-JNSUZQQQSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-9-11-13-21(17-22-14-10-2)23-15-12-16-24(18(3)4,19(5)6)20(7)8/h10-11,13,18-21H,2,9,14-15,17H2,1,3-8H3/b13-11-/t21-/m1/s1.
What are the key properties of tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane?
tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane has a molecular weight of 350.62 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane is sourced from PubChem (CID 25224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).