5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane

C18H38OSi2 — CID 20667253

IUPAC5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane
SMILESC/C=C/CC1CC[Si](C)(C)OC[Si](C)(C)CCC(CC)C1
InChIInChI=1S/C18H38OSi2/c1-7-9-10-18-12-14-21(5,6)19-16-20(3,4)13-11-17(8-2)15-18/h7,9,17-18H,8,10-16H2,1-6H3/b9-7+
InChIKeySNXUHPMIQYIYSL-VQHVLOKHSA-N
MW326.67 g/mol
LogP6.25
Rot. Bonds3

About 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane

5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane (PubChem CID 20667253) has the molecular formula C18H38OSi2 and a molecular weight of 326.67 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane
PubChem CID20667253
Molecular FormulaC18H38OSi2
Molecular Weight326.67 g/mol
Exact Mass326.25
IUPAC Name5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane
SMILESC/C=C/CC1CC[Si](C)(C)OC[Si](C)(C)CCC(CC)C1
InChIInChI=1S/C18H38OSi2/c1-7-9-10-18-12-14-21(5,6)19-16-20(3,4)13-11-17(8-2)15-18/h7,9,17-18H,8,10-16H2,1-6H3/b9-7+
InChIKeySNXUHPMIQYIYSL-VQHVLOKHSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.67
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane?
The IUPAC name of 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane (CID 20667253) is 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane.
What is the SMILES notation for 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane?
The canonical SMILES for 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane is C/C=C/CC1CC[Si](C)(C)OC[Si](C)(C)CCC(CC)C1.
What is the InChIKey of 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane?
The InChIKey is SNXUHPMIQYIYSL-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H38OSi2/c1-7-9-10-18-12-14-21(5,6)19-16-20(3,4)13-11-17(8-2)15-18/h7,9,17-18H,8,10-16H2,1-6H3/b9-7+.
What are the key properties of 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane?
5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane has a molecular weight of 326.67 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]-7-ethyl-2,2,10,10-tetramethyl-1-oxa-2,10-disilacycloundecane is sourced from PubChem (CID 20667253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).