3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one

C12H26O2Si — CID 72740800

IUPAC3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one
SMILESCCCC(=O)C(CC)[Si](C)(C)OC(C)C
InChIInChI=1S/C12H26O2Si/c1-7-9-11(13)12(8-2)15(5,6)14-10(3)4/h10,12H,7-9H2,1-6H3
InChIKeyWINHBAKVJAVEBN-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds7

About 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one

3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one (PubChem CID 72740800) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one.

Molecular Properties

Compound Name3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one
PubChem CID72740800
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one
SMILESCCCC(=O)C(CC)[Si](C)(C)OC(C)C
InChIInChI=1S/C12H26O2Si/c1-7-9-11(13)12(8-2)15(5,6)14-10(3)4/h10,12H,7-9H2,1-6H3
InChIKeyWINHBAKVJAVEBN-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one
CID 134889798
(3R)-2,3-dimethylheptan-4-one
CID 121285503
2,3-dimethylheptan-4-one
CID 19867142
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
5-ethyl-7-methyloctan-4-one
CID 139477338
diiminoazanium;3-methylheptan-4-one
CID 175383752
(2S)-2-ethyl-3-oxohexanoic acid
CID 92975200
(3R)-3-bromoheptan-4-one
CID 86325268
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
methyl 2,3-diethyl-4-oxoheptanoate
CID 142729976
1-amino-2-methylhexan-3-one
CID 116564408
3-methyloctane-4,5-dione
CID 18177714

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one?
The IUPAC name of 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one (CID 72740800) is 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one.
What is the SMILES notation for 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one?
The canonical SMILES for 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one is CCCC(=O)C(CC)[Si](C)(C)OC(C)C.
What is the InChIKey of 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one?
The InChIKey is WINHBAKVJAVEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-9-11(13)12(8-2)15(5,6)14-10(3)4/h10,12H,7-9H2,1-6H3.
What are the key properties of 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one?
3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one has a molecular weight of 230.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(propan-2-yloxy)silyl]heptan-4-one is sourced from PubChem (CID 72740800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).