2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane

C22H32O2Si — CID 134901231

IUPAC2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane
SMILESCC(C)C(C)(C)[Si](C)(C)C#C/C=C\C#CC#CCOC1CCCCO1
InChIInChI=1S/C22H32O2Si/c1-20(2)22(3,4)25(5,6)19-15-11-9-7-8-10-13-17-23-21-16-12-14-18-24-21/h9,11,20-21H,12,14,16-18H2,1-6H3/b11-9-
InChIKeyDHQKUXPJFOLKHQ-LUAWRHEFSA-N
MW356.58 g/mol
LogP4.78
Rot. Bonds4

About 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane

2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane (PubChem CID 134901231) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane
PubChem CID134901231
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane
SMILESCC(C)C(C)(C)[Si](C)(C)C#C/C=C\C#CC#CCOC1CCCCO1
InChIInChI=1S/C22H32O2Si/c1-20(2)22(3,4)25(5,6)19-15-11-9-7-8-10-13-17-23-21-16-12-14-18-24-21/h9,11,20-21H,12,14,16-18H2,1-6H3/b11-9-
InChIKeyDHQKUXPJFOLKHQ-LUAWRHEFSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane?
The IUPAC name of 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane (CID 134901231) is 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane is CC(C)C(C)(C)[Si](C)(C)C#C/C=C\C#CC#CCOC1CCCCO1.
What is the InChIKey of 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane?
The InChIKey is DHQKUXPJFOLKHQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-20(2)22(3,4)25(5,6)19-15-11-9-7-8-10-13-17-23-21-16-12-14-18-24-21/h9,11,20-21H,12,14,16-18H2,1-6H3/b11-9-.
What are the key properties of 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane?
2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane has a molecular weight of 356.58 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-dimethyl-[(Z)-9-(oxan-2-yloxy)non-3-en-1,5,7-triynyl]silane is sourced from PubChem (CID 134901231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).