6,7,7-trimethoxy-7-silylhept-2-en-4-one

C10H20O4Si — CID 174769907

IUPAC6,7,7-trimethoxy-7-silylhept-2-en-4-one
SMILESCC=CC(=O)CC(OC)C([SiH3])(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-6-8(11)7-9(12-2)10(15,13-3)14-4/h5-6,9H,7H2,1-4,15H3
InChIKeyUQELCQWODJYZFB-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.15
Rot. Bonds7

About 6,7,7-trimethoxy-7-silylhept-2-en-4-one

6,7,7-trimethoxy-7-silylhept-2-en-4-one (PubChem CID 174769907) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 6,7,7-trimethoxy-7-silylhept-2-en-4-one.

Molecular Properties

Compound Name6,7,7-trimethoxy-7-silylhept-2-en-4-one
PubChem CID174769907
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name6,7,7-trimethoxy-7-silylhept-2-en-4-one
SMILESCC=CC(=O)CC(OC)C([SiH3])(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-6-8(11)7-9(12-2)10(15,13-3)14-4/h5-6,9H,7H2,1-4,15H3
InChIKeyUQELCQWODJYZFB-UHFFFAOYSA-N
XLogP-0.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethoxy-7-silylhept-2-en-4-one?
The IUPAC name of 6,7,7-trimethoxy-7-silylhept-2-en-4-one (CID 174769907) is 6,7,7-trimethoxy-7-silylhept-2-en-4-one.
What is the SMILES notation for 6,7,7-trimethoxy-7-silylhept-2-en-4-one?
The canonical SMILES for 6,7,7-trimethoxy-7-silylhept-2-en-4-one is CC=CC(=O)CC(OC)C([SiH3])(OC)OC.
What is the InChIKey of 6,7,7-trimethoxy-7-silylhept-2-en-4-one?
The InChIKey is UQELCQWODJYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-6-8(11)7-9(12-2)10(15,13-3)14-4/h5-6,9H,7H2,1-4,15H3.
What are the key properties of 6,7,7-trimethoxy-7-silylhept-2-en-4-one?
6,7,7-trimethoxy-7-silylhept-2-en-4-one has a molecular weight of 232.35 g/mol, XLogP of -0.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethoxy-7-silylhept-2-en-4-one is sourced from PubChem (CID 174769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).