7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one

C12H24O4Si — CID 150165835

IUPAC7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)CCCCO[Si](CCC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-11-17(14-3,15-4)16-10-8-7-9-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyFIJQQHXBWOJNPD-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds11

About 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one

7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one (PubChem CID 150165835) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one.

Molecular Properties

Compound Name7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one
PubChem CID150165835
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)CCCCO[Si](CCC)(OC)OC
InChIInChI=1S/C12H24O4Si/c1-5-11-17(14-3,15-4)16-10-8-7-9-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyFIJQQHXBWOJNPD-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
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

7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
CID 11128489
6-Triethoxysilylhex-1-en-3-one
CID 22323143
4-Triethoxysilylhex-1-en-3-one
CID 87180757
7-Diethoxysilylhept-1-en-3-one
CID 123308909
7-Dimethoxysilylhept-1-en-3-one
CID 123991025
6-Tributoxysilylhex-1-en-3-one
CID 139724571
7-Trimethoxysilylhept-1-en-3-one
CID 140061908
6-Triethoxysilylhept-1-ene-3,4-dione
CID 141307920
6-Trimethoxysilylhept-1-ene-3,4-dione
CID 141307922
6-[Diethoxy(methyl)silyl]hept-1-ene-3,4-dione
CID 141307925
4-[Ethoxy(dimethoxy)silyl]hex-1-en-3-one
CID 141315082
7-[Dimethoxy(methyl)silyl]oxyhept-1-ene-3,4-dione
CID 141628821

Frequently Asked Questions

What is the IUPAC name of 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one?
The IUPAC name of 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one (CID 150165835) is 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one.
What is the SMILES notation for 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one?
The canonical SMILES for 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one is C=CC(=O)CCCCO[Si](CCC)(OC)OC.
What is the InChIKey of 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one?
The InChIKey is FIJQQHXBWOJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-11-17(14-3,15-4)16-10-8-7-9-12(13)6-2/h6H,2,5,7-11H2,1,3-4H3.
What are the key properties of 7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one?
7-[dimethoxy(propyl)silyl]oxyhept-1-en-3-one has a molecular weight of 260.41 g/mol, XLogP of 2.57, 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]oxyhept-1-en-3-one is sourced from PubChem (CID 150165835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).