6-trimethoxysilylhex-1-ene-3,4-dione

C9H16O5Si — CID 57127511

IUPAC6-trimethoxysilylhex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](OC)(OC)OC
InChIInChI=1S/C9H16O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5H,1,6-7H2,2-4H3
InChIKeyRMQFBVMJQYDQJY-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.58
Rot. Bonds8

About 6-trimethoxysilylhex-1-ene-3,4-dione

6-trimethoxysilylhex-1-ene-3,4-dione (PubChem CID 57127511) has the molecular formula C9H16O5Si and a molecular weight of 232.31 g/mol. Its IUPAC name is 6-trimethoxysilylhex-1-ene-3,4-dione.

Molecular Properties

Compound Name6-trimethoxysilylhex-1-ene-3,4-dione
PubChem CID57127511
Molecular FormulaC9H16O5Si
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name6-trimethoxysilylhex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](OC)(OC)OC
InChIInChI=1S/C9H16O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5H,1,6-7H2,2-4H3
InChIKeyRMQFBVMJQYDQJY-UHFFFAOYSA-N
XLogP0.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-trimethoxysilylhex-1-ene-3,4-dione?
The IUPAC name of 6-trimethoxysilylhex-1-ene-3,4-dione (CID 57127511) is 6-trimethoxysilylhex-1-ene-3,4-dione.
What is the SMILES notation for 6-trimethoxysilylhex-1-ene-3,4-dione?
The canonical SMILES for 6-trimethoxysilylhex-1-ene-3,4-dione is C=CC(=O)C(=O)CC[Si](OC)(OC)OC.
What is the InChIKey of 6-trimethoxysilylhex-1-ene-3,4-dione?
The InChIKey is RMQFBVMJQYDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5H,1,6-7H2,2-4H3.
What are the key properties of 6-trimethoxysilylhex-1-ene-3,4-dione?
6-trimethoxysilylhex-1-ene-3,4-dione has a molecular weight of 232.31 g/mol, XLogP of 0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethoxysilylhex-1-ene-3,4-dione is sourced from PubChem (CID 57127511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).