1-[heptanoyl(dimethyl)silyl]heptan-1-one

C16H32O2Si — CID 154188501

IUPAC1-[heptanoyl(dimethyl)silyl]heptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)C(=O)CCCCCC
InChIInChI=1S/C16H32O2Si/c1-5-7-9-11-13-15(17)19(3,4)16(18)14-12-10-8-6-2/h5-14H2,1-4H3
InChIKeyNUHIFZHOOHSHNP-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.85
Rot. Bonds12

About 1-[heptanoyl(dimethyl)silyl]heptan-1-one

1-[heptanoyl(dimethyl)silyl]heptan-1-one (PubChem CID 154188501) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 1-[heptanoyl(dimethyl)silyl]heptan-1-one.

Molecular Properties

Compound Name1-[heptanoyl(dimethyl)silyl]heptan-1-one
PubChem CID154188501
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name1-[heptanoyl(dimethyl)silyl]heptan-1-one
SMILESCCCCCCC(=O)[Si](C)(C)C(=O)CCCCCC
InChIInChI=1S/C16H32O2Si/c1-5-7-9-11-13-15(17)19(3,4)16(18)14-12-10-8-6-2/h5-14H2,1-4H3
InChIKeyNUHIFZHOOHSHNP-UHFFFAOYSA-N
XLogP4.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-4-[dimethyl(undecanoyl)silyl]but-2-enyl]-dimethylsilyl]undecan-1-one
CID 101482124
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octadecane-9,10-dione
CID 10902085
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dec-1-en-2-yl(trimethyl)silane
CID 11665658
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of 1-[heptanoyl(dimethyl)silyl]heptan-1-one?
The IUPAC name of 1-[heptanoyl(dimethyl)silyl]heptan-1-one (CID 154188501) is 1-[heptanoyl(dimethyl)silyl]heptan-1-one.
What is the SMILES notation for 1-[heptanoyl(dimethyl)silyl]heptan-1-one?
The canonical SMILES for 1-[heptanoyl(dimethyl)silyl]heptan-1-one is CCCCCCC(=O)[Si](C)(C)C(=O)CCCCCC.
What is the InChIKey of 1-[heptanoyl(dimethyl)silyl]heptan-1-one?
The InChIKey is NUHIFZHOOHSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-5-7-9-11-13-15(17)19(3,4)16(18)14-12-10-8-6-2/h5-14H2,1-4H3.
What are the key properties of 1-[heptanoyl(dimethyl)silyl]heptan-1-one?
1-[heptanoyl(dimethyl)silyl]heptan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[heptanoyl(dimethyl)silyl]heptan-1-one is sourced from PubChem (CID 154188501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).