5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal

C12H28O6Si2 — CID 58944483

IUPAC5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal
SMILESCO[Si](CCCCC=O)(OC)O[Si](OC)(OC)C(C)C
InChIInChI=1S/C12H28O6Si2/c1-12(2)20(16-5,17-6)18-19(14-3,15-4)11-9-7-8-10-13/h10,12H,7-9,11H2,1-6H3
InChIKeyOPERIKSQHQTSAU-UHFFFAOYSA-N
MW324.52 g/mol
LogP2.25
Rot. Bonds12

About 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal

5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal (PubChem CID 58944483) has the molecular formula C12H28O6Si2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal.

Molecular Properties

Compound Name5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal
PubChem CID58944483
Molecular FormulaC12H28O6Si2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal
SMILESCO[Si](CCCCC=O)(OC)O[Si](OC)(OC)C(C)C
InChIInChI=1S/C12H28O6Si2/c1-12(2)20(16-5,17-6)18-19(14-3,15-4)11-9-7-8-10-13/h10,12H,7-9,11H2,1-6H3
InChIKeyOPERIKSQHQTSAU-UHFFFAOYSA-N
XLogP2.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal?
The IUPAC name of 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal (CID 58944483) is 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal.
What is the SMILES notation for 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal?
The canonical SMILES for 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal is CO[Si](CCCCC=O)(OC)O[Si](OC)(OC)C(C)C.
What is the InChIKey of 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal?
The InChIKey is OPERIKSQHQTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O6Si2/c1-12(2)20(16-5,17-6)18-19(14-3,15-4)11-9-7-8-10-13/h10,12H,7-9,11H2,1-6H3.
What are the key properties of 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal?
5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal has a molecular weight of 324.52 g/mol, XLogP of 2.25, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[dimethoxy(propan-2-yl)silyl]oxy-dimethoxysilyl]pentanal is sourced from PubChem (CID 58944483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).