4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde

C18H36O3Si2 — CID 19000580

IUPAC4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(13-19)16(15)21-23(9,10)18(4,5)6/h11,13,15-16H,12H2,1-10H3
InChIKeyNQUIGOZXWQOOOT-UHFFFAOYSA-N
MW356.66 g/mol
LogP5.30
Rot. Bonds5

About 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde

4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde (PubChem CID 19000580) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde
PubChem CID19000580
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Name4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(C=O)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(13-19)16(15)21-23(9,10)18(4,5)6/h11,13,15-16H,12H2,1-10H3
InChIKeyNQUIGOZXWQOOOT-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde?
The IUPAC name of 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde (CID 19000580) is 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde.
What is the SMILES notation for 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde?
The canonical SMILES for 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1CC=C(C=O)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde?
The InChIKey is NQUIGOZXWQOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-17(2,3)22(7,8)20-15-12-11-14(13-19)16(15)21-23(9,10)18(4,5)6/h11,13,15-16H,12H2,1-10H3.
What are the key properties of 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde?
4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde has a molecular weight of 356.66 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde is sourced from PubChem (CID 19000580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).