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

C27H60O4Si3 — CID 140529968

IUPAC(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C27H60O4Si3/c1-13-32(14-2,15-3)29-22-27(31-34(23(7)8,24(9)10)25(11)12)26(20-19-21-28)30-33(16-4,17-5)18-6/h21,23-27H,13-20,22H2,1-12H3/t26-,27+/m0/s1
InChIKeyFTGAMYWEKNMEDC-RRPNLBNLSA-N
MW533.03 g/mol
LogP8.94
Rot. Bonds20

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

(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal (PubChem CID 140529968) has the molecular formula C27H60O4Si3 and a molecular weight of 533.03 g/mol. Its IUPAC name is (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal
PubChem CID140529968
Molecular FormulaC27H60O4Si3
Molecular Weight533.03 g/mol
Exact Mass532.38
IUPAC Name(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C27H60O4Si3/c1-13-32(14-2,15-3)29-22-27(31-34(23(7)8,24(9)10)25(11)12)26(20-19-21-28)30-33(16-4,17-5)18-6/h21,23-27H,13-20,22H2,1-12H3/t26-,27+/m0/s1
InChIKeyFTGAMYWEKNMEDC-RRPNLBNLSA-N
XLogP8.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.03
LogP ≤ 58.94
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 (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal (CID 140529968) is (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal is CC[Si](CC)(CC)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCC=O)O[Si](CC)(CC)CC.
What is the InChIKey of (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is FTGAMYWEKNMEDC-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H60O4Si3/c1-13-32(14-2,15-3)29-22-27(31-34(23(7)8,24(9)10)25(11)12)26(20-19-21-28)30-33(16-4,17-5)18-6/h21,23-27H,13-20,22H2,1-12H3/t26-,27+/m0/s1.
What are the key properties of (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal?
(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 533.03 g/mol, XLogP of 8.94, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 140529968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).