3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol

C13H28O4Si — CID 91232319

IUPAC3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol
SMILESC=C(C)OC(CO)(COC(C)CC)[Si](C)(C)OC
InChIInChI=1S/C13H28O4Si/c1-8-12(4)16-10-13(9-14,17-11(2)3)18(6,7)15-5/h12,14H,2,8-10H2,1,3-7H3
InChIKeyGRJGILYVXNTFMZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.47
Rot. Bonds9

About 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol

3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol (PubChem CID 91232319) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol.

Molecular Properties

Compound Name3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol
PubChem CID91232319
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol
SMILESC=C(C)OC(CO)(COC(C)CC)[Si](C)(C)OC
InChIInChI=1S/C13H28O4Si/c1-8-12(4)16-10-13(9-14,17-11(2)3)18(6,7)15-5/h12,14H,2,8-10H2,1,3-7H3
InChIKeyGRJGILYVXNTFMZ-UHFFFAOYSA-N
XLogP2.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol?
The IUPAC name of 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol (CID 91232319) is 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol.
What is the SMILES notation for 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol?
The canonical SMILES for 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol is C=C(C)OC(CO)(COC(C)CC)[Si](C)(C)OC.
What is the InChIKey of 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol?
The InChIKey is GRJGILYVXNTFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-8-12(4)16-10-13(9-14,17-11(2)3)18(6,7)15-5/h12,14H,2,8-10H2,1,3-7H3.
What are the key properties of 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol?
3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol has a molecular weight of 276.45 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-2-[methoxy(dimethyl)silyl]-2-prop-1-en-2-yloxypropan-1-ol is sourced from PubChem (CID 91232319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).