(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one

C10H20O2Si — CID 20765111

IUPAC(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
SMILESCC(=O)/C(=C/[Si](C)(C)C)CCCO
InChIInChI=1S/C10H20O2Si/c1-9(12)10(6-5-7-11)8-13(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+
InChIKeyNSWXLJLOAIPNNX-CSKARUKUSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds5

About (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one

(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one (PubChem CID 20765111) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one.

Molecular Properties

Compound Name(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
PubChem CID20765111
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
SMILESCC(=O)/C(=C/[Si](C)(C)C)CCCO
InChIInChI=1S/C10H20O2Si/c1-9(12)10(6-5-7-11)8-13(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+
InChIKeyNSWXLJLOAIPNNX-CSKARUKUSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one?
The IUPAC name of (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one (CID 20765111) is (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one.
What is the SMILES notation for (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one?
The canonical SMILES for (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one is CC(=O)/C(=C/[Si](C)(C)C)CCCO.
What is the InChIKey of (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one?
The InChIKey is NSWXLJLOAIPNNX-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(12)10(6-5-7-11)8-13(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+.
What are the key properties of (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one?
(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one has a molecular weight of 200.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one is sourced from PubChem (CID 20765111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).