(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal

C19H38O4Si — CID 14061503

IUPAC(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@H](C)OC1CCCCO1
InChIInChI=1S/C19H38O4Si/c1-14(13-20)18(23-24(7,8)19(4,5)6)15(2)16(3)22-17-11-9-10-12-21-17/h13-18H,9-12H2,1-8H3/t14-,15-,16-,17?,18+/m0/s1
InChIKeyAGUSMHVYLPEQSM-NHOPAOFGSA-N
MW358.60 g/mol
LogP4.78
Rot. Bonds8

About (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal

(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal (PubChem CID 14061503) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
PubChem CID14061503
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@H](C)OC1CCCCO1
InChIInChI=1S/C19H38O4Si/c1-14(13-20)18(23-24(7,8)19(4,5)6)15(2)16(3)22-17-11-9-10-12-21-17/h13-18H,9-12H2,1-8H3/t14-,15-,16-,17?,18+/m0/s1
InChIKeyAGUSMHVYLPEQSM-NHOPAOFGSA-N
XLogP4.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.78
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 (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal?
The IUPAC name of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal (CID 14061503) is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal.
What is the SMILES notation for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal?
The canonical SMILES for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@H](C)OC1CCCCO1.
What is the InChIKey of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal?
The InChIKey is AGUSMHVYLPEQSM-NHOPAOFGSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-14(13-20)18(23-24(7,8)19(4,5)6)15(2)16(3)22-17-11-9-10-12-21-17/h13-18H,9-12H2,1-8H3/t14-,15-,16-,17?,18+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal?
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal has a molecular weight of 358.60 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal is sourced from PubChem (CID 14061503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).