1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol

C11H25ClO4Si — CID 139948642

IUPAC1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol
SMILESCCO[Si](C)(CCCOCC(O)CCl)OCC
InChIInChI=1S/C11H25ClO4Si/c1-4-15-17(3,16-5-2)8-6-7-14-10-11(13)9-12/h11,13H,4-10H2,1-3H3
InChIKeyAXPCNDGQTASANO-UHFFFAOYSA-N
MW284.86 g/mol
LogP2.14
Rot. Bonds11

About 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol

1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol (PubChem CID 139948642) has the molecular formula C11H25ClO4Si and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol
PubChem CID139948642
Molecular FormulaC11H25ClO4Si
Molecular Weight284.86 g/mol
Exact Mass284.12
IUPAC Name1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol
SMILESCCO[Si](C)(CCCOCC(O)CCl)OCC
InChIInChI=1S/C11H25ClO4Si/c1-4-15-17(3,16-5-2)8-6-7-14-10-11(13)9-12/h11,13H,4-10H2,1-3H3
InChIKeyAXPCNDGQTASANO-UHFFFAOYSA-N
XLogP2.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol (CID 139948642) is 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol is CCO[Si](C)(CCCOCC(O)CCl)OCC.
What is the InChIKey of 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol?
The InChIKey is AXPCNDGQTASANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClO4Si/c1-4-15-17(3,16-5-2)8-6-7-14-10-11(13)9-12/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol?
1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol has a molecular weight of 284.86 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol is sourced from PubChem (CID 139948642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).