7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one

C13H26O4Si — CID 151915328

IUPAC7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCCO[Si](CCC)(OC)OC
InChIInChI=1S/C13H26O4Si/c1-6-11-18(15-4,16-5)17-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3
InChIKeySVQJTPBWOYZKIB-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.96
Rot. Bonds11

About 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one

7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one (PubChem CID 151915328) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one.

Molecular Properties

Compound Name7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one
PubChem CID151915328
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCCO[Si](CCC)(OC)OC
InChIInChI=1S/C13H26O4Si/c1-6-11-18(15-4,16-5)17-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3
InChIKeySVQJTPBWOYZKIB-UHFFFAOYSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one?
The IUPAC name of 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one (CID 151915328) is 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one.
What is the SMILES notation for 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one?
The canonical SMILES for 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one is C=C(C)C(=O)CCCCO[Si](CCC)(OC)OC.
What is the InChIKey of 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one?
The InChIKey is SVQJTPBWOYZKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-11-18(15-4,16-5)17-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3.
What are the key properties of 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one?
7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one has a molecular weight of 274.43 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethoxy(propyl)silyl]oxy-2-methylhept-1-en-3-one is sourced from PubChem (CID 151915328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).