(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one

C21H44Br2O4Si2 — CID 11342188

IUPAC(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CBr)CC(=O)C[C@H](O)C[C@H](CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44Br2O4Si2/c1-20(2,3)28(7,8)26-18(14-22)12-16(24)11-17(25)13-19(15-23)27-29(9,10)21(4,5)6/h16,18-19,24H,11-15H2,1-10H3/t16-,18+,19+/m0/s1
InChIKeyUZBYOPCWNZZPRN-QXAKKESOSA-N
MW576.56 g/mol
LogP6.66
Rot. Bonds12

About (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one

(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one (PubChem CID 11342188) has the molecular formula C21H44Br2O4Si2 and a molecular weight of 576.56 g/mol. Its IUPAC name is (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one.

Molecular Properties

Compound Name(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one
PubChem CID11342188
Molecular FormulaC21H44Br2O4Si2
Molecular Weight576.56 g/mol
Exact Mass574.11
IUPAC Name(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CBr)CC(=O)C[C@H](O)C[C@H](CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44Br2O4Si2/c1-20(2,3)28(7,8)26-18(14-22)12-16(24)11-17(25)13-19(15-23)27-29(9,10)21(4,5)6/h16,18-19,24H,11-15H2,1-10H3/t16-,18+,19+/m0/s1
InChIKeyUZBYOPCWNZZPRN-QXAKKESOSA-N
XLogP6.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.56
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 123308582
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
methyl (3R,5S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-methylundeca-8,10-dienoate
CID 71814812
(E,2S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,9-dimethyldec-3-en-5-one
CID 102009682
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(methylamino)pentanoic acid
CID 59831403
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768

Frequently Asked Questions

What is the IUPAC name of (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one?
The IUPAC name of (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one (CID 11342188) is (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one.
What is the SMILES notation for (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one?
The canonical SMILES for (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one is CC(C)(C)[Si](C)(C)O[C@@H](CBr)CC(=O)C[C@H](O)C[C@H](CBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one?
The InChIKey is UZBYOPCWNZZPRN-QXAKKESOSA-N. The full InChI is InChI=1S/C21H44Br2O4Si2/c1-20(2,3)28(7,8)26-18(14-22)12-16(24)11-17(25)13-19(15-23)27-29(9,10)21(4,5)6/h16,18-19,24H,11-15H2,1-10H3/t16-,18+,19+/m0/s1.
What are the key properties of (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one?
(2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one has a molecular weight of 576.56 g/mol, XLogP of 6.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R)-1,9-dibromo-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxynonan-4-one is sourced from PubChem (CID 11342188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).