cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde

C21H26O2Si — CID 11121318

IUPACcis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,15,17-18H,14,16H2,1-3H3/t17-,18+/m1/s1
InChIKeyRKZNTUMZJRNPDN-MSOLQXFVSA-N
MW338.52 g/mol
LogP3.40
Rot. Bonds6

About cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde

cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde (PubChem CID 11121318) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
PubChem CID11121318
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Namecis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,15,17-18H,14,16H2,1-3H3/t17-,18+/m1/s1
InChIKeyRKZNTUMZJRNPDN-MSOLQXFVSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.40
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 cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde (CID 11121318) is cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde is CC(C)(C)[Si](OC[C@@H]1C[C@@H]1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde?
The InChIKey is RKZNTUMZJRNPDN-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,15,17-18H,14,16H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde has a molecular weight of 338.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 11121318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).