(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal

C17H34O2Si — CID 10968548

IUPAC(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
SMILESC=CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C=O
InChIInChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)12-18)19-20(13(2)3,14(4)5)15(6)7/h9,12-17H,1,10-11H2,2-8H3/t16-,17-/m1/s1
InChIKeyRYAJDSJVEMBSAG-IAGOWNOFSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds10

About (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal

(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal (PubChem CID 10968548) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
PubChem CID10968548
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
SMILESC=CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C=O
InChIInChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)12-18)19-20(13(2)3,14(4)5)15(6)7/h9,12-17H,1,10-11H2,2-8H3/t16-,17-/m1/s1
InChIKeyRYAJDSJVEMBSAG-IAGOWNOFSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,6E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldeca-6,8-dienal
CID 71546754
(3S)-3-methyl-3-trimethylsilyloxyhept-6-enal
CID 44239222
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxyhept-6-ynal
CID 162406360
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enal
CID 10970756

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal?
The IUPAC name of (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal (CID 10968548) is (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal.
What is the SMILES notation for (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal?
The canonical SMILES for (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal is C=CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C=O.
What is the InChIKey of (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal?
The InChIKey is RYAJDSJVEMBSAG-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-11-17(16(8)12-18)19-20(13(2)3,14(4)5)15(6)7/h9,12-17H,1,10-11H2,2-8H3/t16-,17-/m1/s1.
What are the key properties of (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal?
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal has a molecular weight of 298.54 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal is sourced from PubChem (CID 10968548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).