(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal

C13H28O2Si — CID 11459213

IUPAC(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OC[C@@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-13(7)8-14/h8,10-13H,9H2,1-7H3/t13-/m0/s1
InChIKeyRCBWNKPTEPEFHQ-ZDUSSCGKSA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds7

About (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal

(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal (PubChem CID 11459213) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal
PubChem CID11459213
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OC[C@@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-13(7)8-14/h8,10-13H,9H2,1-7H3/t13-/m0/s1
InChIKeyRCBWNKPTEPEFHQ-ZDUSSCGKSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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 (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal (CID 11459213) is (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal is CC(C)[Si](OC[C@@H](C)C=O)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal?
The InChIKey is RCBWNKPTEPEFHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10(2)16(11(3)4,12(5)6)15-9-13(7)8-14/h8,10-13H,9H2,1-7H3/t13-/m0/s1.
What are the key properties of (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal?
(2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 11459213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).