(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal

C15H32O3Si — CID 11000736

IUPAC(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCC[C@@](C)(O)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-15(7,17)8-10-16/h10,12-14,17H,8-9,11H2,1-7H3/t15-/m0/s1
InChIKeyZTDRSIZHPPSYDW-HNNXBMFYSA-N
MW288.50 g/mol
LogP3.91
Rot. Bonds9

About (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal

(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal (PubChem CID 11000736) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal
PubChem CID11000736
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCC[C@@](C)(O)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-15(7,17)8-10-16/h10,12-14,17H,8-9,11H2,1-7H3/t15-/m0/s1
InChIKeyZTDRSIZHPPSYDW-HNNXBMFYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
CID 134969090
6-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methylhexan-2-one
CID 89804269
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanal
CID 10514610
(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
CID 15373161

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal (CID 11000736) is (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal is CC(C)[Si](OCC[C@@](C)(O)CC=O)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal?
The InChIKey is ZTDRSIZHPPSYDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-12(2)19(13(3)4,14(5)6)18-11-9-15(7,17)8-10-16/h10,12-14,17H,8-9,11H2,1-7H3/t15-/m0/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal?
(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal has a molecular weight of 288.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 11000736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).