1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde

C10H20O2Si — CID 14778630

IUPAC1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)CC1
InChIInChI=1S/C10H20O2Si/c1-9(2,3)13(4,5)12-10(8-11)6-7-10/h8H,6-7H2,1-5H3
InChIKeyUSEPQADZZXOVBD-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.74
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde

1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde (PubChem CID 14778630) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde
PubChem CID14778630
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1(C=O)CC1
InChIInChI=1S/C10H20O2Si/c1-9(2,3)13(4,5)12-10(8-11)6-7-10/h8H,6-7H2,1-5H3
InChIKeyUSEPQADZZXOVBD-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.74
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-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde (CID 14778630) is 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC1(C=O)CC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde?
The InChIKey is USEPQADZZXOVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(2,3)13(4,5)12-10(8-11)6-7-10/h8H,6-7H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde?
1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde has a molecular weight of 200.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carbaldehyde is sourced from PubChem (CID 14778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).