(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal

C26H56O3Si2 — CID 169258108

IUPAC(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal
SMILESCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3/t25-,26+/m0/s1
InChIKeyRCOWCFMYLCBKHD-IZZNHLLZSA-N
MW472.90 g/mol
LogP8.89
Rot. Bonds16

About (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal

(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal (PubChem CID 169258108) has the molecular formula C26H56O3Si2 and a molecular weight of 472.90 g/mol. Its IUPAC name is (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal.

Molecular Properties

Compound Name(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal
PubChem CID169258108
Molecular FormulaC26H56O3Si2
Molecular Weight472.90 g/mol
Exact Mass472.38
IUPAC Name(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal
SMILESCCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3/t25-,26+/m0/s1
InChIKeyRCOWCFMYLCBKHD-IZZNHLLZSA-N
XLogP8.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The IUPAC name of (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal (CID 169258108) is (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal.
What is the SMILES notation for (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The canonical SMILES for (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal is CCCCC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal?
The InChIKey is RCOWCFMYLCBKHD-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H56O3Si2/c1-14-15-16-17-25(28-30(19(2)3,20(4)5)21(6)7)26(18-27)29-31(22(8)9,23(10)11)24(12)13/h18-26H,14-17H2,1-13H3/t25-,26+/m0/s1.
What are the key properties of (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal?
(2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal has a molecular weight of 472.90 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis[tri(propan-2-yl)silyloxy]octanal is sourced from PubChem (CID 169258108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).