(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal

C14H28O4Si — CID 11044428

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(C)OC[C@@H](C[C@H](C=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)18-11(9-15)8-12-10-16-14(4,5)17-12/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1
InChIKeyNAKSGHXYLHJZHA-VXGBXAGGSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds5

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (PubChem CID 11044428) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
PubChem CID11044428
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
SMILESCC1(C)OC[C@@H](C[C@H](C=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)18-11(9-15)8-12-10-16-14(4,5)17-12/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1
InChIKeyNAKSGHXYLHJZHA-VXGBXAGGSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal (CID 11044428) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is CC1(C)OC[C@@H](C[C@H](C=O)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
The InChIKey is NAKSGHXYLHJZHA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(2,3)19(6,7)18-11(9-15)8-12-10-16-14(4,5)17-12/h9,11-12H,8,10H2,1-7H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal has a molecular weight of 288.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal is sourced from PubChem (CID 11044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).