7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one

C18H40O3Si3 — CID 20576119

IUPAC7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C18H40O3Si3/c1-10-11-15-22(4,5)20-24(8,9)21-23(6,7)16-13-12-14-18(19)17(2)3/h2,10-16H2,1,3-9H3
InChIKeyPBVHHNSUNGBOFJ-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.25
Rot. Bonds13

About 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one

7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one (PubChem CID 20576119) has the molecular formula C18H40O3Si3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one.

Molecular Properties

Compound Name7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one
PubChem CID20576119
Molecular FormulaC18H40O3Si3
Molecular Weight388.77 g/mol
Exact Mass388.23
IUPAC Name7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C18H40O3Si3/c1-10-11-15-22(4,5)20-24(8,9)21-23(6,7)16-13-12-14-18(19)17(2)3/h2,10-16H2,1,3-9H3
InChIKeyPBVHHNSUNGBOFJ-UHFFFAOYSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one?
The IUPAC name of 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one (CID 20576119) is 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one.
What is the SMILES notation for 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one?
The canonical SMILES for 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one is C=C(C)C(=O)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one?
The InChIKey is PBVHHNSUNGBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si3/c1-10-11-15-22(4,5)20-24(8,9)21-23(6,7)16-13-12-14-18(19)17(2)3/h2,10-16H2,1,3-9H3.
What are the key properties of 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one?
7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one has a molecular weight of 388.77 g/mol, XLogP of 6.25, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylhept-1-en-3-one is sourced from PubChem (CID 20576119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).