1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione

C26H54O4Si2 — CID 15500761

IUPAC1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione
SMILESCC(C)[Si](OCCCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O4Si2/c1-19(2)31(20(3)4,21(5)6)29-17-13-15-25(27)26(28)16-14-18-30-32(22(7)8,23(9)10)24(11)12/h19-24H,13-18H2,1-12H3
InChIKeySYTPDVICPYMFJP-UHFFFAOYSA-N
MW486.89 g/mol
LogP8.07
Rot. Bonds17

About 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione

1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione (PubChem CID 15500761) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione.

Molecular Properties

Compound Name1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione
PubChem CID15500761
Molecular FormulaC26H54O4Si2
Molecular Weight486.89 g/mol
Exact Mass486.36
IUPAC Name1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione
SMILESCC(C)[Si](OCCCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O4Si2/c1-19(2)31(20(3)4,21(5)6)29-17-13-15-25(27)26(28)16-14-18-30-32(22(7)8,23(9)10)24(11)12/h19-24H,13-18H2,1-12H3
InChIKeySYTPDVICPYMFJP-UHFFFAOYSA-N
XLogP8.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.89
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione with MolForge

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Related Compounds

14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(5R,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]heptan-2-one
CID 162397442
7-Tri(propan-2-yl)silyloxyheptane-3,4-dione
CID 10881140
(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
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodecan-6-one
CID 16116694
7-Triethylsilyloxyheptan-3-one
CID 18622826
1,7-Bis(triethylsilyloxy)heptan-4-one
CID 18622848
CID 58325591
CID 58325591
CID 58325592
CID 58325592
CID 58382924
CID 58382924

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione?
The IUPAC name of 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione (CID 15500761) is 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione.
What is the SMILES notation for 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione?
The canonical SMILES for 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione is CC(C)[Si](OCCCC(=O)C(=O)CCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione?
The InChIKey is SYTPDVICPYMFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-19(2)31(20(3)4,21(5)6)29-17-13-15-25(27)26(28)16-14-18-30-32(22(7)8,23(9)10)24(11)12/h19-24H,13-18H2,1-12H3.
What are the key properties of 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione?
1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione has a molecular weight of 486.89 g/mol, XLogP of 8.07, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[tri(propan-2-yl)silyloxy]octane-4,5-dione is sourced from PubChem (CID 15500761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).