(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol

C13H28O3Si — CID 70882764

IUPAC(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol
SMILESC[C@H]1CO[C@H](CCC(C)(C)[Si](C)(C)O)[C@@H](O)C1
InChIInChI=1S/C13H28O3Si/c1-10-8-11(14)12(16-9-10)6-7-13(2,3)17(4,5)15/h10-12,14-15H,6-9H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyVPXJNXLLPJFEPS-GRYCIOLGSA-N
MW260.45 g/mol
LogP2.53
Rot. Bonds4

About (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol

(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol (PubChem CID 70882764) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol
PubChem CID70882764
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol
SMILESC[C@H]1CO[C@H](CCC(C)(C)[Si](C)(C)O)[C@@H](O)C1
InChIInChI=1S/C13H28O3Si/c1-10-8-11(14)12(16-9-10)6-7-13(2,3)17(4,5)15/h10-12,14-15H,6-9H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyVPXJNXLLPJFEPS-GRYCIOLGSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol?
The IUPAC name of (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol (CID 70882764) is (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol is C[C@H]1CO[C@H](CCC(C)(C)[Si](C)(C)O)[C@@H](O)C1.
What is the InChIKey of (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol?
The InChIKey is VPXJNXLLPJFEPS-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10-8-11(14)12(16-9-10)6-7-13(2,3)17(4,5)15/h10-12,14-15H,6-9H2,1-5H3/t10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol?
(2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol has a molecular weight of 260.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-5-methyloxan-3-ol is sourced from PubChem (CID 70882764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).