6-tributoxysilylhex-1-en-3-one

C18H36O4Si — CID 139724571

IUPAC6-tributoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C18H36O4Si/c1-5-9-14-20-23(21-15-10-6-2,22-16-11-7-3)17-12-13-18(19)8-4/h8H,4-7,9-17H2,1-3H3
InChIKeyCTLOWGDJQVFUQT-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.91
Rot. Bonds17

About 6-tributoxysilylhex-1-en-3-one

6-tributoxysilylhex-1-en-3-one (PubChem CID 139724571) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 6-tributoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name6-tributoxysilylhex-1-en-3-one
PubChem CID139724571
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name6-tributoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C18H36O4Si/c1-5-9-14-20-23(21-15-10-6-2,22-16-11-7-3)17-12-13-18(19)8-4/h8H,4-7,9-17H2,1-3H3
InChIKeyCTLOWGDJQVFUQT-UHFFFAOYSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-tributoxysilylhex-1-en-3-one?
The IUPAC name of 6-tributoxysilylhex-1-en-3-one (CID 139724571) is 6-tributoxysilylhex-1-en-3-one.
What is the SMILES notation for 6-tributoxysilylhex-1-en-3-one?
The canonical SMILES for 6-tributoxysilylhex-1-en-3-one is C=CC(=O)CCC[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 6-tributoxysilylhex-1-en-3-one?
The InChIKey is CTLOWGDJQVFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-5-9-14-20-23(21-15-10-6-2,22-16-11-7-3)17-12-13-18(19)8-4/h8H,4-7,9-17H2,1-3H3.
What are the key properties of 6-tributoxysilylhex-1-en-3-one?
6-tributoxysilylhex-1-en-3-one has a molecular weight of 344.57 g/mol, XLogP of 4.91, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tributoxysilylhex-1-en-3-one is sourced from PubChem (CID 139724571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).