(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol

C15H34O3Si — CID 102245428

IUPAC(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol
SMILESCC(C)[Si](OC[C@@H](O)C[C@H](C)CO)(C(C)C)C(C)C
InChIInChI=1S/C15H34O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)8-14(7)9-16/h11-17H,8-10H2,1-7H3/t14-,15-/m0/s1
InChIKeyGXUNRANASLXECN-GJZGRUSLSA-N
MW290.52 g/mol
LogP3.56
Rot. Bonds9

About (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol

(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol (PubChem CID 102245428) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol.

Molecular Properties

Compound Name(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol
PubChem CID102245428
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol
SMILESCC(C)[Si](OC[C@@H](O)C[C@H](C)CO)(C(C)C)C(C)C
InChIInChI=1S/C15H34O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)8-14(7)9-16/h11-17H,8-10H2,1-7H3/t14-,15-/m0/s1
InChIKeyGXUNRANASLXECN-GJZGRUSLSA-N
XLogP3.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.56
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 (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol?
The IUPAC name of (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol (CID 102245428) is (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol.
What is the SMILES notation for (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol?
The canonical SMILES for (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol is CC(C)[Si](OC[C@@H](O)C[C@H](C)CO)(C(C)C)C(C)C.
What is the InChIKey of (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol?
The InChIKey is GXUNRANASLXECN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-11(2)19(12(3)4,13(5)6)18-10-15(17)8-14(7)9-16/h11-17H,8-10H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol?
(2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol has a molecular weight of 290.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-5-tri(propan-2-yl)silyloxypentane-1,4-diol is sourced from PubChem (CID 102245428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).