4-[hydroxy(dimethyl)silyl]hept-6-en-2-one

C9H18O2Si — CID 10867071

IUPAC4-[hydroxy(dimethyl)silyl]hept-6-en-2-one
SMILESC=CCC(CC(C)=O)[Si](C)(C)O
InChIInChI=1S/C9H18O2Si/c1-5-6-9(7-8(2)10)12(3,4)11/h5,9,11H,1,6-7H2,2-4H3
InChIKeySLPNFHITWSQXHU-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.11
Rot. Bonds5

About 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one

4-[hydroxy(dimethyl)silyl]hept-6-en-2-one (PubChem CID 10867071) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one.

Molecular Properties

Compound Name4-[hydroxy(dimethyl)silyl]hept-6-en-2-one
PubChem CID10867071
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name4-[hydroxy(dimethyl)silyl]hept-6-en-2-one
SMILESC=CCC(CC(C)=O)[Si](C)(C)O
InChIInChI=1S/C9H18O2Si/c1-5-6-9(7-8(2)10)12(3,4)11/h5,9,11H,1,6-7H2,2-4H3
InChIKeySLPNFHITWSQXHU-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one?
The IUPAC name of 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one (CID 10867071) is 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one.
What is the SMILES notation for 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one?
The canonical SMILES for 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one is C=CCC(CC(C)=O)[Si](C)(C)O.
What is the InChIKey of 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one?
The InChIKey is SLPNFHITWSQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-6-9(7-8(2)10)12(3,4)11/h5,9,11H,1,6-7H2,2-4H3.
What are the key properties of 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one?
4-[hydroxy(dimethyl)silyl]hept-6-en-2-one has a molecular weight of 186.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(dimethyl)silyl]hept-6-en-2-one is sourced from PubChem (CID 10867071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).