2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one

C15H32O2Si — CID 71345142

IUPAC2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
SMILESCCC(=O)C(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h11-14H,9-10H2,1-8H3
InChIKeyHRTKUGCAZZAEGN-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds8

About 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one

2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one (PubChem CID 71345142) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one.

Molecular Properties

Compound Name2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
PubChem CID71345142
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
SMILESCCC(=O)C(C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h11-14H,9-10H2,1-8H3
InChIKeyHRTKUGCAZZAEGN-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
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

1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl] propanoate
CID 101178492
(E,4R)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-ol
CID 11376118
(E,2R,4S,5R)-5-hydroxy-2,4-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
CID 101204271
(4R)-4-methylheptan-3-one
CID 12696684
4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
methyl 2-tri(propan-2-yl)silyloxyacetate
CID 10377278
4-methyloctane-3,6-dione
CID 14711976
methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 14760943
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
CID 101183701
1-(dimethylamino)-2-methylpentan-3-one;(2S)-1-(dimethylamino)-2-methylpentan-3-one
CID 160945987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one?
The IUPAC name of 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one (CID 71345142) is 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one.
What is the SMILES notation for 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one?
The canonical SMILES for 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one is CCC(=O)C(C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one?
The InChIKey is HRTKUGCAZZAEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-15(16)14(8)10-17-18(11(2)3,12(4)5)13(6)7/h11-14H,9-10H2,1-8H3.
What are the key properties of 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one?
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one has a molecular weight of 272.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one is sourced from PubChem (CID 71345142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).