tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane

C14H26O2Si — CID 15696080

IUPACtert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1CCCCO1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)12-8-11-16-13-9-6-7-10-15-13/h13H,6-7,9-11H2,1-5H3
InChIKeyCRAJFVNFDNRPAS-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane

tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane (PubChem CID 15696080) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane
PubChem CID15696080
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1CCCCO1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)12-8-11-16-13-9-6-7-10-15-13/h13H,6-7,9-11H2,1-5H3
InChIKeyCRAJFVNFDNRPAS-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.58
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 tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane (CID 15696080) is tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane is CC(C)(C)[Si](C)(C)C#CCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane?
The InChIKey is CRAJFVNFDNRPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)12-8-11-16-13-9-6-7-10-15-13/h13H,6-7,9-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane?
tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane has a molecular weight of 254.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]silane is sourced from PubChem (CID 15696080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).