1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol

C12H26O3Si — CID 16733239

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-8-14-9-11(13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3
InChIKeyBYPIUZFXNFKPAR-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.57
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol (PubChem CID 16733239) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol
PubChem CID16733239
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-7-8-14-9-11(13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3
InChIKeyBYPIUZFXNFKPAR-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol (CID 16733239) is 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol?
The InChIKey is BYPIUZFXNFKPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-8-14-9-11(13)10-15-16(5,6)12(2,3)4/h7,11,13H,1,8-10H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol has a molecular weight of 246.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 16733239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).