2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde

C28H56O6Si2 — CID 11180318

IUPAC2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde
SMILESCO[C@H]1C[C@@H](CC=O)O[C@@]2(C1)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C28H56O6Si2/c1-20(2)36(21(3)4,22(5)6)31-19-26-16-25(34-35(11,12)27(7,8)9)18-28(33-26)17-24(30-10)15-23(32-28)13-14-29/h14,20-26H,13,15-19H2,1-12H3/t23-,24+,25+,26-,28-/m1/s1
InChIKeyWSYBRHNSSYGDTP-BZTMQRDQSA-N
MW544.92 g/mol
LogP7.23
Rot. Bonds11

About 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde

2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde (PubChem CID 11180318) has the molecular formula C28H56O6Si2 and a molecular weight of 544.92 g/mol. Its IUPAC name is 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde
PubChem CID11180318
Molecular FormulaC28H56O6Si2
Molecular Weight544.92 g/mol
Exact Mass544.36
IUPAC Name2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde
SMILESCO[C@H]1C[C@@H](CC=O)O[C@@]2(C1)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C28H56O6Si2/c1-20(2)36(21(3)4,22(5)6)31-19-26-16-25(34-35(11,12)27(7,8)9)18-28(33-26)17-24(30-10)15-23(32-28)13-14-29/h14,20-26H,13,15-19H2,1-12H3/t23-,24+,25+,26-,28-/m1/s1
InChIKeyWSYBRHNSSYGDTP-BZTMQRDQSA-N
XLogP7.23
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.92
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde?
The IUPAC name of 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde (CID 11180318) is 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde is CO[C@H]1C[C@@H](CC=O)O[C@@]2(C1)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2.
What is the InChIKey of 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde?
The InChIKey is WSYBRHNSSYGDTP-BZTMQRDQSA-N. The full InChI is InChI=1S/C28H56O6Si2/c1-20(2)36(21(3)4,22(5)6)31-19-26-16-25(34-35(11,12)27(7,8)9)18-28(33-26)17-24(30-10)15-23(32-28)13-14-29/h14,20-26H,13,15-19H2,1-12H3/t23-,24+,25+,26-,28-/m1/s1.
What are the key properties of 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde?
2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde has a molecular weight of 544.92 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde is sourced from PubChem (CID 11180318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).