1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene

C26H40O2Si2 — CID 133064975

IUPAC—
SMILESCC(C[Si](C)c1ccc([Si](C)CC(C)C2CCC3OC3C2)cc1)C1CCC2OC2C1
InChIInChI=1S/C26H40O2Si2/c1-17(19-5-11-23-25(13-19)27-23)15-29(3)21-7-9-22(10-8-21)30(4)16-18(2)20-6-12-24-26(14-20)28-24/h7-10,17-20,23-26H,5-6,11-16H2,1-4H3
InChIKeyQVLDIFYBVKQNPN-UHFFFAOYSA-N
MW440.78 g/mol
LogP4.76
Rot. Bonds8

About 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene

1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene (PubChem CID 133064975) has the molecular formula C26H40O2Si2 and a molecular weight of 440.78 g/mol.

Molecular Properties

Compound Name1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene
PubChem CID133064975
Molecular FormulaC26H40O2Si2
Molecular Weight440.78 g/mol
Exact Mass440.26
IUPAC Name—
SMILESCC(C[Si](C)c1ccc([Si](C)CC(C)C2CCC3OC3C2)cc1)C1CCC2OC2C1
InChIInChI=1S/C26H40O2Si2/c1-17(19-5-11-23-25(13-19)27-23)15-29(3)21-7-9-22(10-8-21)30(4)16-18(2)20-6-12-24-26(14-20)28-24/h7-10,17-20,23-26H,5-6,11-16H2,1-4H3
InChIKeyQVLDIFYBVKQNPN-UHFFFAOYSA-N
XLogP4.76
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.78
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene?
The IUPAC name of 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene (CID 133064975) is not available.
What is the SMILES notation for 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene?
The canonical SMILES for 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene is CC(C[Si](C)c1ccc([Si](C)CC(C)C2CCC3OC3C2)cc1)C1CCC2OC2C1.
What is the InChIKey of 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene?
The InChIKey is QVLDIFYBVKQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si2/c1-17(19-5-11-23-25(13-19)27-23)15-29(3)21-7-9-22(10-8-21)30(4)16-18(2)20-6-12-24-26(14-20)28-24/h7-10,17-20,23-26H,5-6,11-16H2,1-4H3.
What are the key properties of 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene?
1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene has a molecular weight of 440.78 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(3,4-epoxycyclohexylethyl)dimethylsilyl]benzene is sourced from PubChem (CID 133064975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).