triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane

C25H54O4Si2 — CID 101239114

IUPACtriethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane
SMILESCCCCCCCO[C@@H]1C[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)O1
InChIInChI=1S/C25H54O4Si2/c1-9-16-17-18-19-20-26-24-21-23(28-30(10-2,11-3)12-4)25(22(8)27-24)29-31(13-5,14-6)15-7/h22-25H,9-21H2,1-8H3/t22-,23-,24-,25-/m0/s1
InChIKeyKYUYYJVAEROYMF-QORCZRPOSA-N
MW474.88 g/mol
LogP7.89
Rot. Bonds17

About triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane

triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane (PubChem CID 101239114) has the molecular formula C25H54O4Si2 and a molecular weight of 474.88 g/mol. Its IUPAC name is triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane
PubChem CID101239114
Molecular FormulaC25H54O4Si2
Molecular Weight474.88 g/mol
Exact Mass474.36
IUPAC Nametriethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane
SMILESCCCCCCCO[C@@H]1C[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)O1
InChIInChI=1S/C25H54O4Si2/c1-9-16-17-18-19-20-26-24-21-23(28-30(10-2,11-3)12-4)25(22(8)27-24)29-31(13-5,14-6)15-7/h22-25H,9-21H2,1-8H3/t22-,23-,24-,25-/m0/s1
InChIKeyKYUYYJVAEROYMF-QORCZRPOSA-N
XLogP7.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane with MolForge

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Related Compounds

[(2S,3S,4S,6R)-3-acetyloxy-6-dodecoxy-2-methyloxan-4-yl] acetate
CID 102214811
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
2-decoxy-6-methyloxane
CID 160930984
(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
CID 59926190
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
(2R,3S,5S)-5-butoxy-3-methyl-2-pentyloxolane
CID 101097713
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273
[(2R,3R,4R,6S)-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
CID 100922214
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874
(2S,3R,4R,6R)-6-[4-[(2R,4R,5R,6S)-4-(15N)azanyl-6-methyl-5-prop-2-enoxyoxan-2-yl]oxybutoxy]-2-methyl-3-prop-2-enoxyoxan-4-amine
CID 11384884
(4R)-2-butoxy-4-methyloxolane
CID 11789482

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane (CID 101239114) is triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane is CCCCCCCO[C@@H]1C[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)O1.
What is the InChIKey of triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane?
The InChIKey is KYUYYJVAEROYMF-QORCZRPOSA-N. The full InChI is InChI=1S/C25H54O4Si2/c1-9-16-17-18-19-20-26-24-21-23(28-30(10-2,11-3)12-4)25(22(8)27-24)29-31(13-5,14-6)15-7/h22-25H,9-21H2,1-8H3/t22-,23-,24-,25-/m0/s1.
What are the key properties of triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane?
triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane has a molecular weight of 474.88 g/mol, XLogP of 7.89, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane is sourced from PubChem (CID 101239114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).