1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one

C20H40O2Si — CID 168962230

IUPAC1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
SMILESC=CCCCCCCCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-13-16-19(21)17-14-15-18-22-23(5,6)20(2,3)4/h7H,1,8-18H2,2-6H3
InChIKeySQYVUKJWECFDIL-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.66
Rot. Bonds14

About 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one

1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one (PubChem CID 168962230) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
PubChem CID168962230
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
SMILESC=CCCCCCCCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-13-16-19(21)17-14-15-18-22-23(5,6)20(2,3)4/h7H,1,8-18H2,2-6H3
InChIKeySQYVUKJWECFDIL-UHFFFAOYSA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.66
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one (CID 168962230) is 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one is C=CCCCCCCCC(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one?
The InChIKey is SQYVUKJWECFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-7-8-9-10-11-12-13-16-19(21)17-14-15-18-22-23(5,6)20(2,3)4/h7H,1,8-18H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one?
1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one has a molecular weight of 340.62 g/mol, XLogP of 6.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one is sourced from PubChem (CID 168962230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).