7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one

C9H17ClO2Si — CID 91015021

IUPAC7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one
SMILESCC=CC(=O)C(O)CC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClO2Si/c1-4-5-8(11)9(12)6-7-13(2,3)10/h4-5,9,12H,6-7H2,1-3H3
InChIKeyXCUKNZOLJCAOSM-UHFFFAOYSA-N
MW220.77 g/mol
LogP2.33
Rot. Bonds5

About 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one

7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one (PubChem CID 91015021) has the molecular formula C9H17ClO2Si and a molecular weight of 220.77 g/mol. Its IUPAC name is 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one.

Molecular Properties

Compound Name7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one
PubChem CID91015021
Molecular FormulaC9H17ClO2Si
Molecular Weight220.77 g/mol
Exact Mass220.07
IUPAC Name7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one
SMILESCC=CC(=O)C(O)CC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClO2Si/c1-4-5-8(11)9(12)6-7-13(2,3)10/h4-5,9,12H,6-7H2,1-3H3
InChIKeyXCUKNZOLJCAOSM-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 52.33
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one?
The IUPAC name of 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one (CID 91015021) is 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one.
What is the SMILES notation for 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one?
The canonical SMILES for 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one is CC=CC(=O)C(O)CC[Si](C)(C)Cl.
What is the InChIKey of 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one?
The InChIKey is XCUKNZOLJCAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2Si/c1-4-5-8(11)9(12)6-7-13(2,3)10/h4-5,9,12H,6-7H2,1-3H3.
What are the key properties of 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one?
7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one has a molecular weight of 220.77 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one is sourced from PubChem (CID 91015021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).