(2S)-2-tri(propan-2-yl)silyloxyheptanal

C16H34O2Si — CID 15259574

IUPAC(2S)-2-tri(propan-2-yl)silyloxyheptanal
SMILESCCCCC[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/t16-/m0/s1
InChIKeyUAODYLASQXOOHQ-INIZCTEOSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds10

About (2S)-2-tri(propan-2-yl)silyloxyheptanal

(2S)-2-tri(propan-2-yl)silyloxyheptanal (PubChem CID 15259574) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (2S)-2-tri(propan-2-yl)silyloxyheptanal.

Molecular Properties

Compound Name(2S)-2-tri(propan-2-yl)silyloxyheptanal
PubChem CID15259574
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(2S)-2-tri(propan-2-yl)silyloxyheptanal
SMILESCCCCC[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/t16-/m0/s1
InChIKeyUAODYLASQXOOHQ-INIZCTEOSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tri(propan-2-yl)silyloxyheptanal?
The IUPAC name of (2S)-2-tri(propan-2-yl)silyloxyheptanal (CID 15259574) is (2S)-2-tri(propan-2-yl)silyloxyheptanal.
What is the SMILES notation for (2S)-2-tri(propan-2-yl)silyloxyheptanal?
The canonical SMILES for (2S)-2-tri(propan-2-yl)silyloxyheptanal is CCCCC[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-tri(propan-2-yl)silyloxyheptanal?
The InChIKey is UAODYLASQXOOHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-9-10-11-16(12-17)18-19(13(2)3,14(4)5)15(6)7/h12-16H,8-11H2,1-7H3/t16-/m0/s1.
What are the key properties of (2S)-2-tri(propan-2-yl)silyloxyheptanal?
(2S)-2-tri(propan-2-yl)silyloxyheptanal has a molecular weight of 286.53 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tri(propan-2-yl)silyloxyheptanal is sourced from PubChem (CID 15259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).