3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate

C14H30O2Si — CID 123384477

IUPAC3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11H,7-10H2,1-6,17H3
InChIKeyHFCHQFIMXNXKAI-UHFFFAOYSA-N
MW258.48 g/mol
LogP2.80
Rot. Bonds6

About 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate

3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate (PubChem CID 123384477) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Name3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
PubChem CID123384477
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11H,7-10H2,1-6,17H3
InChIKeyHFCHQFIMXNXKAI-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
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 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate?
The IUPAC name of 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate (CID 123384477) is 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate.
What is the SMILES notation for 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate?
The canonical SMILES for 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate is CC(C)CC(C)(C(=O)OCCC[SiH3])C(C)(C)C.
What is the InChIKey of 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate?
The InChIKey is HFCHQFIMXNXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11H,7-10H2,1-6,17H3.
What are the key properties of 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate?
3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate has a molecular weight of 258.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate is sourced from PubChem (CID 123384477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).