(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal

C17H36O2Si — CID 11130390

IUPAC(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)[C@H](C)CCC=O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)16(7)10-9-11-18/h11,13-17H,9-10,12H2,1-8H3/t16-,17-/m1/s1
InChIKeyUZHUEVOTZJRBSP-IAGOWNOFSA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds10

About (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal

(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal (PubChem CID 11130390) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
PubChem CID11130390
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)[C@H](C)CCC=O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)16(7)10-9-11-18/h11,13-17H,9-10,12H2,1-8H3/t16-,17-/m1/s1
InChIKeyUZHUEVOTZJRBSP-IAGOWNOFSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal (CID 11130390) is (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal is CC(C)[Si](OC[C@@H](C)[C@H](C)CCC=O)(C(C)C)C(C)C.
What is the InChIKey of (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is UZHUEVOTZJRBSP-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)16(7)10-9-11-18/h11,13-17H,9-10,12H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
(4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 300.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 11130390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).