2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane

C33H54O3Si2 — CID 11192145

IUPAC2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
SMILESC=C=C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(OCC)O[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C
InChIInChI=1S/C33H54O3Si2/c1-16-19-32(21-23-37(25(4)5,26(6)7)27(8)9)33(20-17-2,36-31(35-32)34-18-3)22-24-38(28(10)11,29(12)13)30(14)15/h19-20,25-31H,1-2,18H2,3-15H3/t32-,33-/m0/s1
InChIKeyTUJCBWAIFNSXMP-LQJZCPKCSA-N
MW554.96 g/mol
LogP8.96
Rot. Bonds10

About 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane

2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 11192145) has the molecular formula C33H54O3Si2 and a molecular weight of 554.96 g/mol. Its IUPAC name is 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID11192145
Molecular FormulaC33H54O3Si2
Molecular Weight554.96 g/mol
Exact Mass554.36
IUPAC Name2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
SMILESC=C=C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(OCC)O[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C
InChIInChI=1S/C33H54O3Si2/c1-16-19-32(21-23-37(25(4)5,26(6)7)27(8)9)33(20-17-2,36-31(35-32)34-18-3)22-24-38(28(10)11,29(12)13)30(14)15/h19-20,25-31H,1-2,18H2,3-15H3/t32-,33-/m0/s1
InChIKeyTUJCBWAIFNSXMP-LQJZCPKCSA-N
XLogP8.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.96
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S,5S)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237057
2-[(4R,5R)-2,2-dimethyl-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237056
2-[(4R,5R)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane
CID 101237058

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane (CID 11192145) is 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane is C=C=C[C@@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)OC(OCC)O[C@]1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C=C.
What is the InChIKey of 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is TUJCBWAIFNSXMP-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H54O3Si2/c1-16-19-32(21-23-37(25(4)5,26(6)7)27(8)9)33(20-17-2,36-31(35-32)34-18-3)22-24-38(28(10)11,29(12)13)30(14)15/h19-20,25-31H,1-2,18H2,3-15H3/t32-,33-/m0/s1.
What are the key properties of 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane?
2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 554.96 g/mol, XLogP of 8.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-2-ethoxy-4,5-bis(propa-1,2-dienyl)-5-[2-tri(propan-2-yl)silylethynyl]-1,3-dioxolan-4-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11192145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).