5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride

C9H19ClO2Si — CID 87415170

IUPAC5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
SMILESCC(C)(CCCC(=O)Cl)[Si](C)(C)O
InChIInChI=1S/C9H19ClO2Si/c1-9(2,13(3,4)12)7-5-6-8(10)11/h12H,5-7H2,1-4H3
InChIKeyULAPPGDHSLPDDM-UHFFFAOYSA-N
MW222.79 g/mol
LogP2.90
Rot. Bonds5

About 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride

5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride (PubChem CID 87415170) has the molecular formula C9H19ClO2Si and a molecular weight of 222.79 g/mol. Its IUPAC name is 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride.

Molecular Properties

Compound Name5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
PubChem CID87415170
Molecular FormulaC9H19ClO2Si
Molecular Weight222.79 g/mol
Exact Mass222.08
IUPAC Name5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
SMILESCC(C)(CCCC(=O)Cl)[Si](C)(C)O
InChIInChI=1S/C9H19ClO2Si/c1-9(2,13(3,4)12)7-5-6-8(10)11/h12H,5-7H2,1-4H3
InChIKeyULAPPGDHSLPDDM-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride?
The IUPAC name of 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride (CID 87415170) is 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride.
What is the SMILES notation for 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride?
The canonical SMILES for 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride is CC(C)(CCCC(=O)Cl)[Si](C)(C)O.
What is the InChIKey of 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride?
The InChIKey is ULAPPGDHSLPDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO2Si/c1-9(2,13(3,4)12)7-5-6-8(10)11/h12H,5-7H2,1-4H3.
What are the key properties of 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride?
5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride has a molecular weight of 222.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride is sourced from PubChem (CID 87415170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).