[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C40H72Si4 — CID 4712639

IUPAC[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C)(C)C(C)(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C40H72Si4/c1-31(2)43(32(3)4,33(5)6)29-25-37(23-27-41(19,20)39(13,14)15)38(24-28-42(21,22)40(16,17)18)26-30-44(34(7)8,35(9)10)36(11)12/h31-36H,1-22H3
InChIKeyQPWLLGXKBWUZRV-UHFFFAOYSA-N
MW665.36 g/mol
LogP12.83
Rot. Bonds6

About [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 4712639) has the molecular formula C40H72Si4 and a molecular weight of 665.36 g/mol. Its IUPAC name is [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID4712639
Molecular FormulaC40H72Si4
Molecular Weight665.36 g/mol
Exact Mass664.47
IUPAC Name[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C)(C)C(C)(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C40H72Si4/c1-31(2)43(32(3)4,33(5)6)29-25-37(23-27-41(19,20)39(13,14)15)38(24-28-42(21,22)40(16,17)18)26-30-44(34(7)8,35(9)10)36(11)12/h31-36H,1-22H3
InChIKeyQPWLLGXKBWUZRV-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.36
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 4712639) is [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC(C#C[Si](C)(C)C(C)(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is QPWLLGXKBWUZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72Si4/c1-31(2)43(32(3)4,33(5)6)29-25-37(23-27-41(19,20)39(13,14)15)38(24-28-42(21,22)40(16,17)18)26-30-44(34(7)8,35(9)10)36(11)12/h31-36H,1-22H3.
What are the key properties of [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 665.36 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 4712639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).