1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde

C22H28O2Si — CID 58584506

IUPAC1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](OCCC1(C=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-16-22(18-23)14-15-22/h4-13,18H,14-17H2,1-3H3
InChIKeyBCNMYPVKUYHQST-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde

1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde (PubChem CID 58584506) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
PubChem CID58584506
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](OCCC1(C=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-16-22(18-23)14-15-22/h4-13,18H,14-17H2,1-3H3
InChIKeyBCNMYPVKUYHQST-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde (CID 58584506) is 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde is CC(C)(C)[Si](OCCC1(C=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
The InChIKey is BCNMYPVKUYHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-17-16-22(18-23)14-15-22/h4-13,18H,14-17H2,1-3H3.
What are the key properties of 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde?
1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde has a molecular weight of 352.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 58584506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).