(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal

C16H34O2Si — CID 11243147

IUPAC(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)CCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-16(7)10-8-9-11-17/h11,13-16H,8-10,12H2,1-7H3/t16-/m0/s1
InChIKeyWRSSBERYNPGHCB-INIZCTEOSA-N
MW286.53 g/mol
LogP5.18
Rot. Bonds10

About (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal

(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal (PubChem CID 11243147) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
PubChem CID11243147
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)CCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-16(7)10-8-9-11-17/h11,13-16H,8-10,12H2,1-7H3/t16-/m0/s1
InChIKeyWRSSBERYNPGHCB-INIZCTEOSA-N
XLogP5.18
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 ≤ 55.18
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 (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal (CID 11243147) is (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal is CC(C)[Si](OC[C@@H](C)CCCC=O)(C(C)C)C(C)C.
What is the InChIKey of (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is WRSSBERYNPGHCB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-13(2)19(14(3)4,15(5)6)18-12-16(7)10-8-9-11-17/h11,13-16H,8-10,12H2,1-7H3/t16-/m0/s1.
What are the key properties of (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 286.53 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 11243147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).