4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one

C10H20O3Si — CID 175902043

IUPAC4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)C(CCC)O[Si](C)(C)OC
InChIInChI=1S/C10H20O3Si/c1-6-8-10(9(11)7-2)13-14(4,5)12-3/h7,10H,2,6,8H2,1,3-5H3
InChIKeySQTSUBYOEOAYFW-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.28
Rot. Bonds7

About 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one

4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one (PubChem CID 175902043) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one
PubChem CID175902043
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)C(CCC)O[Si](C)(C)OC
InChIInChI=1S/C10H20O3Si/c1-6-8-10(9(11)7-2)13-14(4,5)12-3/h7,10H,2,6,8H2,1,3-5H3
InChIKeySQTSUBYOEOAYFW-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one?
The IUPAC name of 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one (CID 175902043) is 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one is C=CC(=O)C(CCC)O[Si](C)(C)OC.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one?
The InChIKey is SQTSUBYOEOAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-8-10(9(11)7-2)13-14(4,5)12-3/h7,10H,2,6,8H2,1,3-5H3.
What are the key properties of 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one?
4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one has a molecular weight of 216.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]oxyhept-1-en-3-one is sourced from PubChem (CID 175902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).