(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal

C18H36O4Si — CID 167622270

IUPAC(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal
SMILESC[C@H](CCC=O)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13-12-16(22-23(7,8)18(4,5)6)17(21-15(13)3)20-14(2)10-9-11-19/h11,13-17H,9-10,12H2,1-8H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyMPMNQJQGGJALBE-NQNKBUKLSA-N
MW344.57 g/mol
LogP4.53
Rot. Bonds7

About (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal

(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal (PubChem CID 167622270) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal.

Molecular Properties

Compound Name(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal
PubChem CID167622270
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal
SMILESC[C@H](CCC=O)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-13-12-16(22-23(7,8)18(4,5)6)17(21-15(13)3)20-14(2)10-9-11-19/h11,13-17H,9-10,12H2,1-8H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyMPMNQJQGGJALBE-NQNKBUKLSA-N
XLogP4.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal?
The IUPAC name of (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal (CID 167622270) is (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal.
What is the SMILES notation for (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal?
The canonical SMILES for (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal is C[C@H](CCC=O)O[C@@H]1O[C@@H](C)[C@H](C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal?
The InChIKey is MPMNQJQGGJALBE-NQNKBUKLSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-13-12-16(22-23(7,8)18(4,5)6)17(21-15(13)3)20-14(2)10-9-11-19/h11,13-17H,9-10,12H2,1-8H3/t13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal?
(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal has a molecular weight of 344.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal is sourced from PubChem (CID 167622270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).