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

C16H34O2Si — CID 11500201

IUPAC(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal
SMILESCCC[C@](C)(CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-9-10-16(8,11-12-17)18-19(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/t16-/m1/s1
InChIKeyPCQPPVYGPPLRKJ-MRXNPFEDSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds9

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

(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal (PubChem CID 11500201) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal
PubChem CID11500201
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal
SMILESCCC[C@](C)(CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-9-10-16(8,11-12-17)18-19(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/t16-/m1/s1
InChIKeyPCQPPVYGPPLRKJ-MRXNPFEDSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.33
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 (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal (CID 11500201) is (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal is CCC[C@](C)(CC=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is PCQPPVYGPPLRKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-10-16(8,11-12-17)18-19(13(2)3,14(4)5)15(6)7/h12-15H,9-11H2,1-8H3/t16-/m1/s1.
What are the key properties of (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal?
(3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 286.53 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 11500201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).