7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one

C12H24O4Si — CID 140783960

IUPAC7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one
SMILESCC=CC(=O)CCCO[Si](CCC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-8-12(13)9-7-10-16-17(14-3,15-4)11-6-2/h5,8H,6-7,9-11H2,1-4H3
InChIKeyFCOXXLNVFCHATO-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds10

About 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one

7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one (PubChem CID 140783960) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one.

Molecular Properties

Compound Name7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one
PubChem CID140783960
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one
SMILESCC=CC(=O)CCCO[Si](CCC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-8-12(13)9-7-10-16-17(14-3,15-4)11-6-2/h5,8H,6-7,9-11H2,1-4H3
InChIKeyFCOXXLNVFCHATO-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.57
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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Related Compounds

1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one
CID 141238432
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
prop-1-en-1-ol;trimethoxy(propyl)silane
CID 174645854
1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one
CID 141238438
butoxy-butyl-dimethoxysilane
CID 139714527
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
(E)-7,7-dimethylnon-2-en-4-one
CID 126514096
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
[(E)-4-oxohept-5-enyl] benzoate
CID 138965533

Frequently Asked Questions

What is the IUPAC name of 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one?
The IUPAC name of 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one (CID 140783960) is 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one.
What is the SMILES notation for 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one?
The canonical SMILES for 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one is CC=CC(=O)CCCO[Si](CCC)(OC)OC.
What is the InChIKey of 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one?
The InChIKey is FCOXXLNVFCHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-8-12(13)9-7-10-16-17(14-3,15-4)11-6-2/h5,8H,6-7,9-11H2,1-4H3.
What are the key properties of 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one?
7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one has a molecular weight of 260.41 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one is sourced from PubChem (CID 140783960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).