(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal

C17H34O3Si — CID 11045267

IUPAC(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal
SMILESC/C=C\[C@H](OC)[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-10-15(19-6)16(12-11-14(2)13-18)20-21(7,8)17(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b10-9-/t14-,15+,16+/m1/s1
InChIKeyNAVIOVNXENRYSH-XWXXBQAMSA-N
MW314.54 g/mol
LogP4.58
Rot. Bonds9

About (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal

(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal (PubChem CID 11045267) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal.

Molecular Properties

Compound Name(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal
PubChem CID11045267
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal
SMILESC/C=C\[C@H](OC)[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-9-10-15(19-6)16(12-11-14(2)13-18)20-21(7,8)17(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b10-9-/t14-,15+,16+/m1/s1
InChIKeyNAVIOVNXENRYSH-XWXXBQAMSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[(2R,3S,6R)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]butanal
CID 11429012
(2S,4S,5R,6S,7E,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
CID 15678266
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethyloct-7-enal
CID 89187754
(2S,4S,5R,6S,7E,9S,10S)-9-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
CID 89209582
(E,2R,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
CID 10766847
(E,2S,5S,7S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,8-dimethyldec-8-enal
CID 135574522
(2R,4S,5R,6S,7E,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-4,5,10-trimethoxy-2,6,8-trimethyldodeca-7,11-dienal
CID 135696837

Frequently Asked Questions

What is the IUPAC name of (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal?
The IUPAC name of (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal (CID 11045267) is (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal.
What is the SMILES notation for (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal?
The canonical SMILES for (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal is C/C=C\[C@H](OC)[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal?
The InChIKey is NAVIOVNXENRYSH-XWXXBQAMSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-9-10-15(19-6)16(12-11-14(2)13-18)20-21(7,8)17(3,4)5/h9-10,13-16H,11-12H2,1-8H3/b10-9-/t14-,15+,16+/m1/s1.
What are the key properties of (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal?
(Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal has a molecular weight of 314.54 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methylnon-7-enal is sourced from PubChem (CID 11045267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).