(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol

C20H46O3Si2 — CID 134931135

IUPAC(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol
SMILESCC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46O3Si2/c1-13-17(21)14-18(23-25(11,12)20(6,7)8)16(2)15-22-24(9,10)19(3,4)5/h16-18,21H,13-15H2,1-12H3/t16-,17+,18-/m0/s1
InChIKeyRJXJNRQTMBDHME-KSZLIROESA-N
MW390.76 g/mol
LogP6.20
Rot. Bonds9

About (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol

(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol (PubChem CID 134931135) has the molecular formula C20H46O3Si2 and a molecular weight of 390.76 g/mol. Its IUPAC name is (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol.

Molecular Properties

Compound Name(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol
PubChem CID134931135
Molecular FormulaC20H46O3Si2
Molecular Weight390.76 g/mol
Exact Mass390.30
IUPAC Name(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol
SMILESCC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H46O3Si2/c1-13-17(21)14-18(23-25(11,12)20(6,7)8)16(2)15-22-24(9,10)19(3,4)5/h16-18,21H,13-15H2,1-12H3/t16-,17+,18-/m0/s1
InChIKeyRJXJNRQTMBDHME-KSZLIROESA-N
XLogP6.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.76
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 11111243
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11302959
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol?
The IUPAC name of (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol (CID 134931135) is (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol.
What is the SMILES notation for (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol?
The canonical SMILES for (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol is CC[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol?
The InChIKey is RJXJNRQTMBDHME-KSZLIROESA-N. The full InChI is InChI=1S/C20H46O3Si2/c1-13-17(21)14-18(23-25(11,12)20(6,7)8)16(2)15-22-24(9,10)19(3,4)5/h16-18,21H,13-15H2,1-12H3/t16-,17+,18-/m0/s1.
What are the key properties of (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol?
(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol has a molecular weight of 390.76 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol is sourced from PubChem (CID 134931135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).