Butanoic acid, di(isopropyl)silyl ester

C10H21O2Si — CID 6329448

IUPAC—
SMILESCCCC(=O)O[Si](C(C)C)C(C)C
InChIInChI=1S/C10H21O2Si/c1-6-7-10(11)12-13(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyHCOVEMHGIWZYLG-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.14
Rot. Bonds5

About Butanoic acid, di(isopropyl)silyl ester

Butanoic acid, di(isopropyl)silyl ester (PubChem CID 6329448) has the molecular formula C10H21O2Si and a molecular weight of 201.36 g/mol.

Molecular Properties

Compound NameButanoic acid, di(isopropyl)silyl ester
PubChem CID6329448
Molecular FormulaC10H21O2Si
Molecular Weight201.36 g/mol
Exact Mass201.13
IUPAC Name—
SMILESCCCC(=O)O[Si](C(C)C)C(C)C
InChIInChI=1S/C10H21O2Si/c1-6-7-10(11)12-13(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyHCOVEMHGIWZYLG-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, trimethylsilyl ester
CID 519322
Triethylsilyl propionate
CID 594353
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
tert-Butyl(dimethyl)silyl propionate
CID 528101
Methyl 4-trimethylsilylbutyrate
CID 85773683
Butyric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91718978
Butanoic acid, triethylsilyl ester
CID 599320
Propanoic acid, tripropylsilyl ester
CID 604402
Pentanoic acid, triethylsilyl ester
CID 604415
Pentanoic acid, tripropylsilyl ester
CID 611964
Butanoic acid, DMTBS
CID 528096
Butanoic acid, 4-(triethoxysilyl)-, trimethylsilyl ester
CID 90091

Frequently Asked Questions

What is the IUPAC name of Butanoic acid, di(isopropyl)silyl ester?
The IUPAC name of Butanoic acid, di(isopropyl)silyl ester (CID 6329448) is not available.
What is the SMILES notation for Butanoic acid, di(isopropyl)silyl ester?
The canonical SMILES for Butanoic acid, di(isopropyl)silyl ester is CCCC(=O)O[Si](C(C)C)C(C)C.
What is the InChIKey of Butanoic acid, di(isopropyl)silyl ester?
The InChIKey is HCOVEMHGIWZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2Si/c1-6-7-10(11)12-13(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of Butanoic acid, di(isopropyl)silyl ester?
Butanoic acid, di(isopropyl)silyl ester has a molecular weight of 201.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Butanoic acid, di(isopropyl)silyl ester is sourced from PubChem (CID 6329448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).