(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol

C25H56O4Si2 — CID 134863674

IUPAC(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
SMILESCC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H56O4Si2/c1-17(2)31(18(3)4,19(5)6)29-16-21(8)24(27)22(9)23(26)20(7)15-28-30(13,14)25(10,11)12/h17-24,26-27H,15-16H2,1-14H3/t20-,21-,22-,23+,24+/m1/s1
InChIKeyMCADGDXHQQZCCK-VDLPQLTJSA-N
MW476.89 g/mol
LogP6.83
Rot. Bonds13

About (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol

(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol (PubChem CID 134863674) has the molecular formula C25H56O4Si2 and a molecular weight of 476.89 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
PubChem CID134863674
Molecular FormulaC25H56O4Si2
Molecular Weight476.89 g/mol
Exact Mass476.37
IUPAC Name(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol
SMILESCC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H56O4Si2/c1-17(2)31(18(3)4,19(5)6)29-16-21(8)24(27)22(9)23(26)20(7)15-28-30(13,14)25(10,11)12/h17-24,26-27H,15-16H2,1-14H3/t20-,21-,22-,23+,24+/m1/s1
InChIKeyMCADGDXHQQZCCK-VDLPQLTJSA-N
XLogP6.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol with MolForge

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(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
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
CID 11750793
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
(3R,4RS,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-3,7,11,15-tetramethylhexadecane-4,11-diol
CID 23727961
(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
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol?
The IUPAC name of (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol (CID 134863674) is (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol is CC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol?
The InChIKey is MCADGDXHQQZCCK-VDLPQLTJSA-N. The full InChI is InChI=1S/C25H56O4Si2/c1-17(2)31(18(3)4,19(5)6)29-16-21(8)24(27)22(9)23(26)20(7)15-28-30(13,14)25(10,11)12/h17-24,26-27H,15-16H2,1-14H3/t20-,21-,22-,23+,24+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol?
(2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol has a molecular weight of 476.89 g/mol, XLogP of 6.83, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyheptane-3,5-diol is sourced from PubChem (CID 134863674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).