2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol

C12H18O3Si — CID 18719544

IUPAC2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol
SMILESC=CCO[Si](C)(C)COc1ccccc1O
InChIInChI=1S/C12H18O3Si/c1-4-9-15-16(2,3)10-14-12-8-6-5-7-11(12)13/h4-8,13H,1,9-10H2,2-3H3
InChIKeyHYMKGCGLQSBWES-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.72
Rot. Bonds6

About 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol

2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol (PubChem CID 18719544) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol.

Molecular Properties

Compound Name2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol
PubChem CID18719544
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Name2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol
SMILESC=CCO[Si](C)(C)COc1ccccc1O
InChIInChI=1S/C12H18O3Si/c1-4-9-15-16(2,3)10-14-12-8-6-5-7-11(12)13/h4-8,13H,1,9-10H2,2-3H3
InChIKeyHYMKGCGLQSBWES-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The IUPAC name of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol (CID 18719544) is 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol.
What is the SMILES notation for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The canonical SMILES for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol is C=CCO[Si](C)(C)COc1ccccc1O.
What is the InChIKey of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
The InChIKey is HYMKGCGLQSBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-4-9-15-16(2,3)10-14-12-8-6-5-7-11(12)13/h4-8,13H,1,9-10H2,2-3H3.
What are the key properties of 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol?
2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol has a molecular weight of 238.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(prop-2-enoxy)silyl]methoxy]phenol is sourced from PubChem (CID 18719544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).