2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol

C14H26O3Si — CID 18616697

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol
SMILESC#CC1(O)CCOC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-7-14(15)8-9-16-12(10-14)11-17-18(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3
InChIKeyZUBAOKFCJUTPPP-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.55
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol (PubChem CID 18616697) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol
PubChem CID18616697
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol
SMILESC#CC1(O)CCOC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-7-14(15)8-9-16-12(10-14)11-17-18(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3
InChIKeyZUBAOKFCJUTPPP-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol (CID 18616697) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol is C#CC1(O)CCOC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol?
The InChIKey is ZUBAOKFCJUTPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-14(15)8-9-16-12(10-14)11-17-18(5,6)13(2,3)4/h1,12,15H,8-11H2,2-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol has a molecular weight of 270.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethynyloxan-4-ol is sourced from PubChem (CID 18616697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).