trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane

C17H32O2Si — CID 21392997

IUPACtrimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane
SMILESCCCCC(C)C(C#C[Si](C)(C)C)OC1CCCOC1
InChIInChI=1S/C17H32O2Si/c1-6-7-9-15(2)17(11-13-20(3,4)5)19-16-10-8-12-18-14-16/h15-17H,6-10,12,14H2,1-5H3
InChIKeySRZPPWGCFRKKRM-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.26
Rot. Bonds6

About trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane

trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane (PubChem CID 21392997) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane
PubChem CID21392997
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametrimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane
SMILESCCCCC(C)C(C#C[Si](C)(C)C)OC1CCCOC1
InChIInChI=1S/C17H32O2Si/c1-6-7-9-15(2)17(11-13-20(3,4)5)19-16-10-8-12-18-14-16/h15-17H,6-10,12,14H2,1-5H3
InChIKeySRZPPWGCFRKKRM-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.26
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 trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane?
The IUPAC name of trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane (CID 21392997) is trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane.
What is the SMILES notation for trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane?
The canonical SMILES for trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane is CCCCC(C)C(C#C[Si](C)(C)C)OC1CCCOC1.
What is the InChIKey of trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane?
The InChIKey is SRZPPWGCFRKKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-6-7-9-15(2)17(11-13-20(3,4)5)19-16-10-8-12-18-14-16/h15-17H,6-10,12,14H2,1-5H3.
What are the key properties of trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane?
trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane has a molecular weight of 296.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-3-(oxan-3-yloxy)oct-1-ynyl]silane is sourced from PubChem (CID 21392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).