(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol

C26H58O6Si2 — CID 135011216

IUPAC(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol
SMILESCO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(O)C(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C26H58O6Si2/c1-17(2)33(18(3)4,19(5)6)31-15-23(29-13)25(27)26(28)24(30-14)16-32-34(20(7)8,21(9)10)22(11)12/h17-28H,15-16H2,1-14H3/t23-,24-,25?,26?/m1/s1
InChIKeyNTWUELXKXQNPBO-TYPLQMOASA-N
MW522.92 g/mol
LogP6.12
Rot. Bonds17

About (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol

(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol (PubChem CID 135011216) has the molecular formula C26H58O6Si2 and a molecular weight of 522.92 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol
PubChem CID135011216
Molecular FormulaC26H58O6Si2
Molecular Weight522.92 g/mol
Exact Mass522.38
IUPAC Name(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol
SMILESCO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(O)C(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C26H58O6Si2/c1-17(2)33(18(3)4,19(5)6)31-15-23(29-13)25(27)26(28)24(30-14)16-32-34(20(7)8,21(9)10)22(11)12/h17-28H,15-16H2,1-14H3/t23-,24-,25?,26?/m1/s1
InChIKeyNTWUELXKXQNPBO-TYPLQMOASA-N
XLogP6.12
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.92
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol?
The IUPAC name of (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol (CID 135011216) is (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol.
What is the SMILES notation for (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol?
The canonical SMILES for (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol is CO[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(O)C(O)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol?
The InChIKey is NTWUELXKXQNPBO-TYPLQMOASA-N. The full InChI is InChI=1S/C26H58O6Si2/c1-17(2)33(18(3)4,19(5)6)31-15-23(29-13)25(27)26(28)24(30-14)16-32-34(20(7)8,21(9)10)22(11)12/h17-28H,15-16H2,1-14H3/t23-,24-,25?,26?/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol?
(2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol has a molecular weight of 522.92 g/mol, XLogP of 6.12, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethoxy-1,6-bis[tri(propan-2-yl)silyloxy]hexane-3,4-diol is sourced from PubChem (CID 135011216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).