7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one

C13H26O3Si — CID 150115965

IUPAC7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCCO[Si](C)(CCC)OC
InChIInChI=1S/C13H26O3Si/c1-6-11-17(5,15-4)16-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3
InChIKeyDYGAJOIMBSFDRJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.45
Rot. Bonds10

About 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one

7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one (PubChem CID 150115965) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one.

Molecular Properties

Compound Name7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one
PubChem CID150115965
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCCO[Si](C)(CCC)OC
InChIInChI=1S/C13H26O3Si/c1-6-11-17(5,15-4)16-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3
InChIKeyDYGAJOIMBSFDRJ-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
CID 11128489
2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 13739584
CID 17859969
CID 17859969
6-[Diethoxy(methyl)silyl]-2-methylhex-1-en-3-one
CID 17987008
(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
CID 20765111
(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
CID 20765115
6-[Ethoxy(diethyl)silyl]-2-methylhex-1-en-3-one
CID 21101449
6-[Ethoxy(diethyl)silyl]-2-methylhex-1-ene-3,4-dione
CID 57214438
2-Methyl-7-triethoxysilylhept-1-en-3-one
CID 58330342
6-Hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
CID 73705627
7-Hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
CID 73705628
7-[Diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione
CID 87773639

Frequently Asked Questions

What is the IUPAC name of 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one?
The IUPAC name of 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one (CID 150115965) is 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one.
What is the SMILES notation for 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one?
The canonical SMILES for 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one is C=C(C)C(=O)CCCCO[Si](C)(CCC)OC.
What is the InChIKey of 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one?
The InChIKey is DYGAJOIMBSFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-6-11-17(5,15-4)16-10-8-7-9-13(14)12(2)3/h2,6-11H2,1,3-5H3.
What are the key properties of 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one?
7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one has a molecular weight of 258.43 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one is sourced from PubChem (CID 150115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).