5-trimethylsilylhexan-3-ol

C9H22OSi — CID 59938355

IUPAC5-trimethylsilylhexan-3-ol
SMILESCCC(O)CC(C)[Si](C)(C)C
InChIInChI=1S/C9H22OSi/c1-6-9(10)7-8(2)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyKFWBDKZKTYBNGG-UHFFFAOYSA-N
MW174.36 g/mol
LogP2.88
Rot. Bonds4

About 5-trimethylsilylhexan-3-ol

5-trimethylsilylhexan-3-ol (PubChem CID 59938355) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is 5-trimethylsilylhexan-3-ol.

Molecular Properties

Compound Name5-trimethylsilylhexan-3-ol
PubChem CID59938355
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Name5-trimethylsilylhexan-3-ol
SMILESCCC(O)CC(C)[Si](C)(C)C
InChIInChI=1S/C9H22OSi/c1-6-9(10)7-8(2)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyKFWBDKZKTYBNGG-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylhexan-3-ol?
The IUPAC name of 5-trimethylsilylhexan-3-ol (CID 59938355) is 5-trimethylsilylhexan-3-ol.
What is the SMILES notation for 5-trimethylsilylhexan-3-ol?
The canonical SMILES for 5-trimethylsilylhexan-3-ol is CCC(O)CC(C)[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilylhexan-3-ol?
The InChIKey is KFWBDKZKTYBNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-6-9(10)7-8(2)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 5-trimethylsilylhexan-3-ol?
5-trimethylsilylhexan-3-ol has a molecular weight of 174.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylhexan-3-ol is sourced from PubChem (CID 59938355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).