1-(3-trimethylsilylpropoxy)propan-2-ol

C9H22O2Si — CID 22956383

IUPAC1-(3-trimethylsilylpropoxy)propan-2-ol
SMILESCC(O)COCCC[Si](C)(C)C
InChIInChI=1S/C9H22O2Si/c1-9(10)8-11-6-5-7-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyPKFRPSSKWFHPMJ-UHFFFAOYSA-N
MW190.36 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-trimethylsilylpropoxy)propan-2-ol

1-(3-trimethylsilylpropoxy)propan-2-ol (PubChem CID 22956383) has the molecular formula C9H22O2Si and a molecular weight of 190.36 g/mol. Its IUPAC name is 1-(3-trimethylsilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-trimethylsilylpropoxy)propan-2-ol
PubChem CID22956383
Molecular FormulaC9H22O2Si
Molecular Weight190.36 g/mol
Exact Mass190.14
IUPAC Name1-(3-trimethylsilylpropoxy)propan-2-ol
SMILESCC(O)COCCC[Si](C)(C)C
InChIInChI=1S/C9H22O2Si/c1-9(10)8-11-6-5-7-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyPKFRPSSKWFHPMJ-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethylsilylpropoxy)propan-2-ol?
The IUPAC name of 1-(3-trimethylsilylpropoxy)propan-2-ol (CID 22956383) is 1-(3-trimethylsilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(3-trimethylsilylpropoxy)propan-2-ol?
The canonical SMILES for 1-(3-trimethylsilylpropoxy)propan-2-ol is CC(O)COCCC[Si](C)(C)C.
What is the InChIKey of 1-(3-trimethylsilylpropoxy)propan-2-ol?
The InChIKey is PKFRPSSKWFHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2Si/c1-9(10)8-11-6-5-7-12(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(3-trimethylsilylpropoxy)propan-2-ol?
1-(3-trimethylsilylpropoxy)propan-2-ol has a molecular weight of 190.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethylsilylpropoxy)propan-2-ol is sourced from PubChem (CID 22956383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).