2-tri(propan-2-yl)silylpentan-3-one

C14H30OSi — CID 13352597

IUPAC2-tri(propan-2-yl)silylpentan-3-one
SMILESCCC(=O)C(C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30OSi/c1-9-14(15)13(8)16(10(2)3,11(4)5)12(6)7/h10-13H,9H2,1-8H3
InChIKeyGBDOGOBWDZDGNX-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds6

About 2-tri(propan-2-yl)silylpentan-3-one

2-tri(propan-2-yl)silylpentan-3-one (PubChem CID 13352597) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is 2-tri(propan-2-yl)silylpentan-3-one.

Molecular Properties

Compound Name2-tri(propan-2-yl)silylpentan-3-one
PubChem CID13352597
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name2-tri(propan-2-yl)silylpentan-3-one
SMILESCCC(=O)C(C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30OSi/c1-9-14(15)13(8)16(10(2)3,11(4)5)12(6)7/h10-13H,9H2,1-8H3
InChIKeyGBDOGOBWDZDGNX-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylsilinan-4-one
CID 547017
1-(Trimethylsilyl)hex-1-yn-3-one
CID 337061
6-(Trimethylsilyl)hex-5-yn-2-one
CID 11182860
3-Trimethylsilylcyclopentan-1-one
CID 14001618
6-Trimethylsilylhexan-4-one
CID 14112750
1-Trimethylsilylpentan-2-one
CID 12457306
1,1,2,2-Tetramethyldisilepan-5-one
CID 13022131
2-[Tert-butyl(dimethyl)silyl]pentan-3-one
CID 13775509
2-[Tert-butyl(dimethyl)silyl]hexan-3-one
CID 15033613
3-Pentanone, 1,5-bis(trimethylsilyl)-
CID 11481640
1-(Trimethylsilyl)butan-2-one
CID 13225580
4-(Trimethylsilyl)-2-butanone
CID 13407685

Frequently Asked Questions

What is the IUPAC name of 2-tri(propan-2-yl)silylpentan-3-one?
The IUPAC name of 2-tri(propan-2-yl)silylpentan-3-one (CID 13352597) is 2-tri(propan-2-yl)silylpentan-3-one.
What is the SMILES notation for 2-tri(propan-2-yl)silylpentan-3-one?
The canonical SMILES for 2-tri(propan-2-yl)silylpentan-3-one is CCC(=O)C(C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-tri(propan-2-yl)silylpentan-3-one?
The InChIKey is GBDOGOBWDZDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-9-14(15)13(8)16(10(2)3,11(4)5)12(6)7/h10-13H,9H2,1-8H3.
What are the key properties of 2-tri(propan-2-yl)silylpentan-3-one?
2-tri(propan-2-yl)silylpentan-3-one has a molecular weight of 242.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tri(propan-2-yl)silylpentan-3-one is sourced from PubChem (CID 13352597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).