(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal

C17H36O2Si — CID 10709398

IUPAC(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@H](C)C[C@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)11-16(7)9-10-18/h10,13-17H,9,11-12H2,1-8H3/t16-,17-/m1/s1
InChIKeyIVUYCFZNKYXYPI-IAGOWNOFSA-N
MW300.56 g/mol
LogP5.43
Rot. Bonds10

About (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal

(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal (PubChem CID 10709398) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
PubChem CID10709398
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@H](C)C[C@H](C)CC=O)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)11-16(7)9-10-18/h10,13-17H,9,11-12H2,1-8H3/t16-,17-/m1/s1
InChIKeyIVUYCFZNKYXYPI-IAGOWNOFSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.43
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 (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal (CID 10709398) is (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal is CC(C)[Si](OC[C@H](C)C[C@H](C)CC=O)(C(C)C)C(C)C.
What is the InChIKey of (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is IVUYCFZNKYXYPI-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)20(14(3)4,15(5)6)19-12-17(8)11-16(7)9-10-18/h10,13-17H,9,11-12H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal?
(3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 300.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-6-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 10709398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).