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

C10H18O5Si — CID 141307922

IUPAC6-trimethoxysilylhept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](OC)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-6-9(11)10(12)7-8(2)16(13-3,14-4)15-5/h6,8H,1,7H2,2-5H3
InChIKeyINNJXJKSLHXELE-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.97
Rot. Bonds8

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

6-trimethoxysilylhept-1-ene-3,4-dione (PubChem CID 141307922) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-trimethoxysilylhept-1-ene-3,4-dione.

Molecular Properties

Compound Name6-trimethoxysilylhept-1-ene-3,4-dione
PubChem CID141307922
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name6-trimethoxysilylhept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](OC)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-6-9(11)10(12)7-8(2)16(13-3,14-4)15-5/h6,8H,1,7H2,2-5H3
InChIKeyINNJXJKSLHXELE-UHFFFAOYSA-N
XLogP0.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.97
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-trimethoxysilylhept-1-ene-3,4-dione?
The IUPAC name of 6-trimethoxysilylhept-1-ene-3,4-dione (CID 141307922) is 6-trimethoxysilylhept-1-ene-3,4-dione.
What is the SMILES notation for 6-trimethoxysilylhept-1-ene-3,4-dione?
The canonical SMILES for 6-trimethoxysilylhept-1-ene-3,4-dione is C=CC(=O)C(=O)CC(C)[Si](OC)(OC)OC.
What is the InChIKey of 6-trimethoxysilylhept-1-ene-3,4-dione?
The InChIKey is INNJXJKSLHXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-6-9(11)10(12)7-8(2)16(13-3,14-4)15-5/h6,8H,1,7H2,2-5H3.
What are the key properties of 6-trimethoxysilylhept-1-ene-3,4-dione?
6-trimethoxysilylhept-1-ene-3,4-dione has a molecular weight of 246.33 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethoxysilylhept-1-ene-3,4-dione is sourced from PubChem (CID 141307922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).