3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal

C18H36O4Si — CID 10904069

IUPAC3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal
SMILESCC1(C)COC(CCC=O)(CCCO[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C18H36O4Si/c1-16(2,3)23(6,7)22-13-9-11-18(10-8-12-19)20-14-17(4,5)15-21-18/h12H,8-11,13-15H2,1-7H3
InChIKeyDKIJKMXOQLJQOF-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.54
Rot. Bonds8

About 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal

3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal (PubChem CID 10904069) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal.

Molecular Properties

Compound Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal
PubChem CID10904069
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal
SMILESCC1(C)COC(CCC=O)(CCCO[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C18H36O4Si/c1-16(2,3)23(6,7)22-13-9-11-18(10-8-12-19)20-14-17(4,5)15-21-18/h12H,8-11,13-15H2,1-7H3
InChIKeyDKIJKMXOQLJQOF-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.54
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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Related Compounds

3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propanal
CID 10892462

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal?
The IUPAC name of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal (CID 10904069) is 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal.
What is the SMILES notation for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal?
The canonical SMILES for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal is CC1(C)COC(CCC=O)(CCCO[Si](C)(C)C(C)(C)C)OC1.
What is the InChIKey of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal?
The InChIKey is DKIJKMXOQLJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-16(2,3)23(6,7)22-13-9-11-18(10-8-12-19)20-14-17(4,5)15-21-18/h12H,8-11,13-15H2,1-7H3.
What are the key properties of 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal?
3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal has a molecular weight of 344.57 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyl-1,3-dioxan-2-yl]propanal is sourced from PubChem (CID 10904069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).