2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane

C24H42O3Si — CID 68656082

IUPAC2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOCCOCCOC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C(C)C=C(C)C1
InChIInChI=1S/C24H42O3Si/c1-19(2)28(20(3)4,21(5)6)15-10-24(17-22(7)16-23(8)18-24)27-14-13-26-12-11-25-9/h16-17,19-21H,11-14,18H2,1-9H3
InChIKeyQIGUYGFWJALBSU-UHFFFAOYSA-N
MW406.68 g/mol
LogP5.92
Rot. Bonds10

About 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane

2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 68656082) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID68656082
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOCCOCCOC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C(C)C=C(C)C1
InChIInChI=1S/C24H42O3Si/c1-19(2)28(20(3)4,21(5)6)15-10-24(17-22(7)16-23(8)18-24)27-14-13-26-12-11-25-9/h16-17,19-21H,11-14,18H2,1-9H3
InChIKeyQIGUYGFWJALBSU-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane (CID 68656082) is 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane is COCCOCCOC1(C#C[Si](C(C)C)(C(C)C)C(C)C)C=C(C)C=C(C)C1.
What is the InChIKey of 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is QIGUYGFWJALBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-19(2)28(20(3)4,21(5)6)15-10-24(17-22(7)16-23(8)18-24)27-14-13-26-12-11-25-9/h16-17,19-21H,11-14,18H2,1-9H3.
What are the key properties of 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane?
2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 406.68 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 68656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).