[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

C34H60Si2 — CID 11670913

IUPAC[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCC/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/CCC
InChIInChI=1S/C34H60Si2/c1-15-17-19-21-33(23-25-35(27(3)4,28(5)6)29(7)8)34(22-20-18-16-2)24-26-36(30(9)10,31(11)12)32(13)14/h19-22,27-32H,15-18H2,1-14H3/b21-19+,22-20+,34-33+
InChIKeyLUYBXGAYXZHDDD-JUQCLHPOSA-N
MW525.03 g/mol
LogP11.44
Rot. Bonds12

About [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 11670913) has the molecular formula C34H60Si2 and a molecular weight of 525.03 g/mol. Its IUPAC name is [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
PubChem CID11670913
Molecular FormulaC34H60Si2
Molecular Weight525.03 g/mol
Exact Mass524.42
IUPAC Name[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCCC/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/CCC
InChIInChI=1S/C34H60Si2/c1-15-17-19-21-33(23-25-35(27(3)4,28(5)6)29(7)8)34(22-20-18-16-2)24-26-36(30(9)10,31(11)12)32(13)14/h19-22,27-32H,15-18H2,1-14H3/b21-19+,22-20+,34-33+
InChIKeyLUYBXGAYXZHDDD-JUQCLHPOSA-N
XLogP11.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.03
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (CID 11670913) is [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is CCC/C=C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/CCC.
What is the InChIKey of [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is LUYBXGAYXZHDDD-JUQCLHPOSA-N. The full InChI is InChI=1S/C34H60Si2/c1-15-17-19-21-33(23-25-35(27(3)4,28(5)6)29(7)8)34(22-20-18-16-2)24-26-36(30(9)10,31(11)12)32(13)14/h19-22,27-32H,15-18H2,1-14H3/b21-19+,22-20+,34-33+.
What are the key properties of [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
[(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 525.03 g/mol, XLogP of 11.44, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-3-[(E)-pent-1-enyl]-4-[2-tri(propan-2-yl)silylethynyl]nona-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11670913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).