(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal

C15H32O2Si — CID 101236071

IUPAC(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
SMILESCCC[C@@H](C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-15(10-16)11-17-18(12(2)3,13(4)5)14(6)7/h10,12-15H,8-9,11H2,1-7H3/t15-/m0/s1
InChIKeyILZZNJFTQRINGV-HNNXBMFYSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds9

About (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal

(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal (PubChem CID 101236071) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal.

Molecular Properties

Compound Name(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
PubChem CID101236071
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
SMILESCCC[C@@H](C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-15(10-16)11-17-18(12(2)3,13(4)5)14(6)7/h10,12-15H,8-9,11H2,1-7H3/t15-/m0/s1
InChIKeyILZZNJFTQRINGV-HNNXBMFYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-ethylpentanal
CID 71368973
2-propylpentanedial
CID 86120951
(Z,4R,7S)-4-hydroxy-5-methyl-7-[tri(propan-2-yl)silyloxymethyl]non-5-en-2-one
CID 101236073
(5R)-6-methyl-2,5-dipropyloctanal
CID 143527461
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
2-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]octanal
CID 101227896
[(2S)-3-methoxy-2-methylpropoxy]-tri(propan-2-yl)silane
CID 57434729
2-(2-chloroethyl)pentanal
CID 175205251
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
ethyl (E,4S)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enoate
CID 101183701
2-ethylpentanal;5-methylhexanal
CID 23315878
2-methyl-1-tri(propan-2-yl)silyloxypentan-3-one
CID 71345142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal?
The IUPAC name of (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal (CID 101236071) is (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal.
What is the SMILES notation for (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal?
The canonical SMILES for (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal is CCC[C@@H](C=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal?
The InChIKey is ILZZNJFTQRINGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-9-15(10-16)11-17-18(12(2)3,13(4)5)14(6)7/h10,12-15H,8-9,11H2,1-7H3/t15-/m0/s1.
What are the key properties of (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal?
(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal has a molecular weight of 272.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal is sourced from PubChem (CID 101236071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).