1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione

C27H56O4Si2 — CID 102103349

IUPAC1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CCC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si2/c1-13-14-17-25(31-33(11,12)27(6,7)8)22(2)21-24(29)19-18-23(28)16-15-20-30-32(9,10)26(3,4)5/h22,25H,13-21H2,1-12H3
InChIKeyQHVAWRBRNPKRLF-UHFFFAOYSA-N
MW500.91 g/mol
LogP8.31
Rot. Bonds16

About 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione

1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione (PubChem CID 102103349) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione.

Molecular Properties

Compound Name1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione
PubChem CID102103349
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Name1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CCC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si2/c1-13-14-17-25(31-33(11,12)27(6,7)8)22(2)21-24(29)19-18-23(28)16-15-20-30-32(9,10)26(3,4)5/h22,25H,13-21H2,1-12H3
InChIKeyQHVAWRBRNPKRLF-UHFFFAOYSA-N
XLogP8.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
(3R,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-11-hydroxy-3,7,11,15-tetramethyl-4-hexadecanone
CID 23727962
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethylnonan-2-one
CID 132501472
6-Methyl-3-[2-tri(propan-2-yl)silyloxyethyl]heptane-2,5-dione
CID 134838764
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloctan-2-one
CID 135039023
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-6-methylheptane-2,5-dione
CID 135043007
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]decan-2-one
CID 135076388
trans-(2S,5R)-5-methyl-2-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexan-1-one
CID 10860399
trans-(2S,5R)-2-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11109768

Frequently Asked Questions

What is the IUPAC name of 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione?
The IUPAC name of 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione (CID 102103349) is 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione.
What is the SMILES notation for 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione?
The canonical SMILES for 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione is CCCCC(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CCC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione?
The InChIKey is QHVAWRBRNPKRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-13-14-17-25(31-33(11,12)27(6,7)8)22(2)21-24(29)19-18-23(28)16-15-20-30-32(9,10)26(3,4)5/h22,25H,13-21H2,1-12H3.
What are the key properties of 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione?
1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione has a molecular weight of 500.91 g/mol, XLogP of 8.31, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyltetradecane-4,7-dione is sourced from PubChem (CID 102103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).