(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C17H34O4Si — CID 56964264

IUPAC(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](CCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)10-9-11-14-15(12-18)20-17(5,6)19-14/h12-15H,9-11H2,1-8H3/t13-,14+,15+/m1/s1
InChIKeyJNLFQXNKCODBFJ-ILXRZTDVSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds7

About (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 56964264) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID56964264
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](CCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)10-9-11-14-15(12-18)20-17(5,6)19-14/h12-15H,9-11H2,1-8H3/t13-,14+,15+/m1/s1
InChIKeyJNLFQXNKCODBFJ-ILXRZTDVSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
CID 162419872
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 164670629
(4S,5S)-5-[3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59721595
(2S,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxane-2-carbaldehyde
CID 10791427
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptan-2-one
CID 10882496
(2S,3R)-3-[2-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxirane-2-carbaldehyde
CID 10981227
(4S,5R)-2,2-dimethyl-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-dioxolane-4-carbaldehyde
CID 10984591
ethyl (4R,5S)-2,2-dimethyl-5-[(2S,4S)-2-methyl-4-tri(propan-2-yl)silyloxypentyl]-1,3-dioxolane-4-carboxylate
CID 11080520
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4S,5S)-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolan-4-yl]heptanal
CID 11145860
(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11313517

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 56964264) is (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is C[C@H](CCC[C@@H]1OC(C)(C)O[C@H]1C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is JNLFQXNKCODBFJ-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-13(21-22(7,8)16(2,3)4)10-9-11-14-15(12-18)20-17(5,6)19-14/h12-15H,9-11H2,1-8H3/t13-,14+,15+/m1/s1.
What are the key properties of (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 56964264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).