(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde

C12H24O3Si — CID 10890159

IUPAC(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
SMILESCC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](C=O)O1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h9-10H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyKKGNPEKYWHZNII-SNVBAGLBSA-N
MW244.41 g/mol
LogP3.03
Rot. Bonds1

About (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde

(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde (PubChem CID 10890159) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
PubChem CID10890159
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
SMILESCC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](C=O)O1
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h9-10H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyKKGNPEKYWHZNII-SNVBAGLBSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxybutanal
CID 164666994
(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde
CID 11402683

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde?
The IUPAC name of (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde (CID 10890159) is (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde.
What is the SMILES notation for (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde?
The canonical SMILES for (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde is CC(C)(C)[Si]1(C(C)(C)C)OCC[C@H](C=O)O1.
What is the InChIKey of (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde?
The InChIKey is KKGNPEKYWHZNII-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)16(12(4,5)6)14-8-7-10(9-13)15-16/h9-10H,7-8H2,1-6H3/t10-/m1/s1.
What are the key properties of (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde?
(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde has a molecular weight of 244.41 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde is sourced from PubChem (CID 10890159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).