(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol

C28H60O6Si — CID 90296836

IUPAC(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol
SMILESCCCCO[C@@H]([C@H](OCCCC)[C@@H](CCC(C)(C)[Si](C)(C)O)OCCCC)[C@@H](CO)OCCCC
InChIInChI=1S/C28H60O6Si/c1-9-13-19-31-24(17-18-28(5,6)35(7,8)30)26(33-21-15-11-3)27(34-22-16-12-4)25(23-29)32-20-14-10-2/h24-27,29-30H,9-23H2,1-8H3/t24-,25-,26-,27-/m1/s1
InChIKeyUIRLLUVDCGNGIA-FPCALVHFSA-N
MW520.87 g/mol
LogP6.48
Rot. Bonds24

About (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol

(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol (PubChem CID 90296836) has the molecular formula C28H60O6Si and a molecular weight of 520.87 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol
PubChem CID90296836
Molecular FormulaC28H60O6Si
Molecular Weight520.87 g/mol
Exact Mass520.42
IUPAC Name(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol
SMILESCCCCO[C@@H]([C@H](OCCCC)[C@@H](CCC(C)(C)[Si](C)(C)O)OCCCC)[C@@H](CO)OCCCC
InChIInChI=1S/C28H60O6Si/c1-9-13-19-31-24(17-18-28(5,6)35(7,8)30)26(33-21-15-11-3)27(34-22-16-12-4)25(23-29)32-20-14-10-2/h24-27,29-30H,9-23H2,1-8H3/t24-,25-,26-,27-/m1/s1
InChIKeyUIRLLUVDCGNGIA-FPCALVHFSA-N
XLogP6.48
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.87
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol?
The IUPAC name of (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol (CID 90296836) is (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol.
What is the SMILES notation for (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol?
The canonical SMILES for (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol is CCCCO[C@@H]([C@H](OCCCC)[C@@H](CCC(C)(C)[Si](C)(C)O)OCCCC)[C@@H](CO)OCCCC.
What is the InChIKey of (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol?
The InChIKey is UIRLLUVDCGNGIA-FPCALVHFSA-N. The full InChI is InChI=1S/C28H60O6Si/c1-9-13-19-31-24(17-18-28(5,6)35(7,8)30)26(33-21-15-11-3)27(34-22-16-12-4)25(23-29)32-20-14-10-2/h24-27,29-30H,9-23H2,1-8H3/t24-,25-,26-,27-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol?
(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol has a molecular weight of 520.87 g/mol, XLogP of 6.48, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-8-[hydroxy(dimethyl)silyl]-8-methylnonan-1-ol is sourced from PubChem (CID 90296836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).