6-triethylsilyloxytridec-1-en-3-one

C19H38O2Si — CID 163288977

IUPAC6-triethylsilyloxytridec-1-en-3-one
SMILESC=CC(=O)CCC(CCCCCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H38O2Si/c1-6-11-12-13-14-15-19(17-16-18(20)7-2)21-22(8-3,9-4)10-5/h7,19H,2,6,8-17H2,1,3-5H3
InChIKeyCBKKJSRTHCMAHZ-UHFFFAOYSA-N
MW326.60 g/mol
LogP6.27
Rot. Bonds15

About 6-triethylsilyloxytridec-1-en-3-one

6-triethylsilyloxytridec-1-en-3-one (PubChem CID 163288977) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 6-triethylsilyloxytridec-1-en-3-one.

Molecular Properties

Compound Name6-triethylsilyloxytridec-1-en-3-one
PubChem CID163288977
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name6-triethylsilyloxytridec-1-en-3-one
SMILESC=CC(=O)CCC(CCCCCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H38O2Si/c1-6-11-12-13-14-15-19(17-16-18(20)7-2)21-22(8-3,9-4)10-5/h7,19H,2,6,8-17H2,1,3-5H3
InChIKeyCBKKJSRTHCMAHZ-UHFFFAOYSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.27
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-triethylsilyloxytridec-1-en-3-one?
The IUPAC name of 6-triethylsilyloxytridec-1-en-3-one (CID 163288977) is 6-triethylsilyloxytridec-1-en-3-one.
What is the SMILES notation for 6-triethylsilyloxytridec-1-en-3-one?
The canonical SMILES for 6-triethylsilyloxytridec-1-en-3-one is C=CC(=O)CCC(CCCCCCC)O[Si](CC)(CC)CC.
What is the InChIKey of 6-triethylsilyloxytridec-1-en-3-one?
The InChIKey is CBKKJSRTHCMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-6-11-12-13-14-15-19(17-16-18(20)7-2)21-22(8-3,9-4)10-5/h7,19H,2,6,8-17H2,1,3-5H3.
What are the key properties of 6-triethylsilyloxytridec-1-en-3-one?
6-triethylsilyloxytridec-1-en-3-one has a molecular weight of 326.60 g/mol, XLogP of 6.27, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethylsilyloxytridec-1-en-3-one is sourced from PubChem (CID 163288977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).