2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde

C21H42O4Si — CID 11200031

IUPAC2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
SMILESCC(C)[Si](OCCCC[C@@H]1C[C@H](CC=O)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C21H42O4Si/c1-16(2)26(17(3)4,18(5)6)23-14-10-9-11-19-15-20(12-13-22)25-21(7,8)24-19/h13,16-20H,9-12,14-15H2,1-8H3/t19-,20+/m1/s1
InChIKeyQKNQBMWGXQUHDN-UXHICEINSA-N
MW386.65 g/mol
LogP5.85
Rot. Bonds11

About 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde

2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 11200031) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
PubChem CID11200031
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
SMILESCC(C)[Si](OCCCC[C@@H]1C[C@H](CC=O)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C21H42O4Si/c1-16(2)26(17(3)4,18(5)6)23-14-10-9-11-19-15-20(12-13-22)25-21(7,8)24-19/h13,16-20H,9-12,14-15H2,1-8H3/t19-,20+/m1/s1
InChIKeyQKNQBMWGXQUHDN-UXHICEINSA-N
XLogP5.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde (CID 11200031) is 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde is CC(C)[Si](OCCCC[C@@H]1C[C@H](CC=O)OC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is QKNQBMWGXQUHDN-UXHICEINSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-16(2)26(17(3)4,18(5)6)23-14-10-9-11-19-15-20(12-13-22)25-21(7,8)24-19/h13,16-20H,9-12,14-15H2,1-8H3/t19-,20+/m1/s1.
What are the key properties of 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde?
2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 386.65 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 11200031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).