7-tri(propan-2-yl)silyloxyheptane-3,4-dione

C16H32O3Si — CID 10881140

IUPAC7-tri(propan-2-yl)silyloxyheptane-3,4-dione
SMILESCCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15(17)16(18)10-9-11-19-20(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyGYWWJNFUFMQNTH-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.51
Rot. Bonds10

About 7-tri(propan-2-yl)silyloxyheptane-3,4-dione

7-tri(propan-2-yl)silyloxyheptane-3,4-dione (PubChem CID 10881140) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 7-tri(propan-2-yl)silyloxyheptane-3,4-dione.

Molecular Properties

Compound Name7-tri(propan-2-yl)silyloxyheptane-3,4-dione
PubChem CID10881140
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name7-tri(propan-2-yl)silyloxyheptane-3,4-dione
SMILESCCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32O3Si/c1-8-15(17)16(18)10-9-11-19-20(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3
InChIKeyGYWWJNFUFMQNTH-UHFFFAOYSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Hexanone, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10922346
(7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-4-one
CID 10244268
6-Tri(propan-2-yl)silyloxyhexan-2-one
CID 10635941
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
Octadecane-12-on-1-ol, TMS
CID 631035
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]tridecan-6-one
CID 11201973
2,10-Bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuterioundecan-6-one
CID 11212707
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-3-one
CID 11778781
1,8-Bis[tri(propan-2-yl)silyloxy]octane-4,5-dione
CID 15500761
6-Triethylsilyloxyhexan-2-one
CID 18622639
1-Trimethylsilyloxyheptan-4-one
CID 18622643

Frequently Asked Questions

What is the IUPAC name of 7-tri(propan-2-yl)silyloxyheptane-3,4-dione?
The IUPAC name of 7-tri(propan-2-yl)silyloxyheptane-3,4-dione (CID 10881140) is 7-tri(propan-2-yl)silyloxyheptane-3,4-dione.
What is the SMILES notation for 7-tri(propan-2-yl)silyloxyheptane-3,4-dione?
The canonical SMILES for 7-tri(propan-2-yl)silyloxyheptane-3,4-dione is CCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 7-tri(propan-2-yl)silyloxyheptane-3,4-dione?
The InChIKey is GYWWJNFUFMQNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-15(17)16(18)10-9-11-19-20(12(2)3,13(4)5)14(6)7/h12-14H,8-11H2,1-7H3.
What are the key properties of 7-tri(propan-2-yl)silyloxyheptane-3,4-dione?
7-tri(propan-2-yl)silyloxyheptane-3,4-dione has a molecular weight of 300.51 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tri(propan-2-yl)silyloxyheptane-3,4-dione is sourced from PubChem (CID 10881140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).