[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane

C24H46O3Si2 — CID 58721991

IUPAC[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane
SMILESC/C(=C\C[Si](C)(C)O[Si](C)(C)CC/C(C)=C/CC1OC1(C)C)CCC1OC1(C)C
InChIInChI=1S/C24H46O3Si2/c1-19(11-13-21-23(3,4)25-21)15-17-28(7,8)27-29(9,10)18-16-20(2)12-14-22-24(5,6)26-22/h11,16,21-22H,12-15,17-18H2,1-10H3/b19-11+,20-16+
InChIKeyBEZQZYXQYQFSLQ-WBVBEWOVSA-N
MW438.80 g/mol
LogP7.22
Rot. Bonds12

About [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane

[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane (PubChem CID 58721991) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane
PubChem CID58721991
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Name[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane
SMILESC/C(=C\C[Si](C)(C)O[Si](C)(C)CC/C(C)=C/CC1OC1(C)C)CCC1OC1(C)C
InChIInChI=1S/C24H46O3Si2/c1-19(11-13-21-23(3,4)25-21)15-17-28(7,8)27-29(9,10)18-16-20(2)12-14-22-24(5,6)26-22/h11,16,21-22H,12-15,17-18H2,1-10H3/b19-11+,20-16+
InChIKeyBEZQZYXQYQFSLQ-WBVBEWOVSA-N
XLogP7.22
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane (CID 58721991) is [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane is C/C(=C\C[Si](C)(C)O[Si](C)(C)CC/C(C)=C/CC1OC1(C)C)CCC1OC1(C)C.
What is the InChIKey of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is BEZQZYXQYQFSLQ-WBVBEWOVSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-19(11-13-21-23(3,4)25-21)15-17-28(7,8)27-29(9,10)18-16-20(2)12-14-22-24(5,6)26-22/h11,16,21-22H,12-15,17-18H2,1-10H3/b19-11+,20-16+.
What are the key properties of [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane?
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 438.80 g/mol, XLogP of 7.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-[[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-enyl]-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 58721991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).