6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one

C9H17ClOSi — CID 11041886

IUPAC6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClOSi/c1-8(2)9(11)6-5-7-12(3,4)10/h1,5-7H2,2-4H3
InChIKeyLCERLGUDBYDXGU-UHFFFAOYSA-N
MW204.77 g/mol
LogP3.36
Rot. Bonds5

About 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one

6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one (PubChem CID 11041886) has the molecular formula C9H17ClOSi and a molecular weight of 204.77 g/mol. Its IUPAC name is 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one
PubChem CID11041886
Molecular FormulaC9H17ClOSi
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Name6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClOSi/c1-8(2)9(11)6-5-7-12(3,4)10/h1,5-7H2,2-4H3
InChIKeyLCERLGUDBYDXGU-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one?
The IUPAC name of 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one (CID 11041886) is 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one?
The canonical SMILES for 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC[Si](C)(C)Cl.
What is the InChIKey of 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one?
The InChIKey is LCERLGUDBYDXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClOSi/c1-8(2)9(11)6-5-7-12(3,4)10/h1,5-7H2,2-4H3.
What are the key properties of 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one?
6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one has a molecular weight of 204.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(dimethyl)silyl]-2-methylhex-1-en-3-one is sourced from PubChem (CID 11041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).