(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal

C17H34O2Si — CID 11580265

IUPAC(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal
SMILESC=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C=O
InChIInChI=1S/C17H34O2Si/c1-9-10-16(12-14(2)11-15(3)13-18)19-20(7,8)17(4,5)6/h13,15-16H,2,9-12H2,1,3-8H3/t15-,16-/m1/s1
InChIKeyKZDGSYKSPBLMIH-HZPDHXFCSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds9

About (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal

(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal (PubChem CID 11580265) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal.

Molecular Properties

Compound Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal
PubChem CID11580265
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal
SMILESC=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C=O
InChIInChI=1S/C17H34O2Si/c1-9-10-16(12-14(2)11-15(3)13-18)19-20(7,8)17(4,5)6/h13,15-16H,2,9-12H2,1,3-8H3/t15-,16-/m1/s1
InChIKeyKZDGSYKSPBLMIH-HZPDHXFCSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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

(3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal
CID 10917221
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
CID 146161663
2-[(1S,2R,4R)-2-methyl-6-methylidene-4-triethylsilyloxycyclohexyl]acetaldehyde
CID 164676102
5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidenecyclohexyl]pentan-2-one
CID 11012368
(3S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloct-7-enal
CID 71490042
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-2-hepta-3,4-dienylcyclopent-3-ene-1-carbaldehyde
CID 57151335
8-(Oxomethylidene)-6-triethylsilyloxydecanal
CID 140333784
2-[(1S,3R,5R)-5-methyl-2-methylidene-3-tri(propan-2-yl)silyloxycyclohexyl]acetaldehyde
CID 11198127
(3S,5S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloct-7-enal
CID 11338982
6-[Tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
CID 11781948
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4-methylidene-7-oxooctanal
CID 15408673
(6S)-6-[tert-butyl(dimethyl)silyl]oxyundec-10-enal
CID 44195743

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal?
The IUPAC name of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal (CID 11580265) is (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal.
What is the SMILES notation for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal?
The canonical SMILES for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal is C=C(C[C@@H](CCC)O[Si](C)(C)C(C)(C)C)C[C@@H](C)C=O.
What is the InChIKey of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal?
The InChIKey is KZDGSYKSPBLMIH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-16(12-14(2)11-15(3)13-18)19-20(7,8)17(4,5)6/h13,15-16H,2,9-12H2,1,3-8H3/t15-,16-/m1/s1.
What are the key properties of (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal?
(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal has a molecular weight of 298.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanal is sourced from PubChem (CID 11580265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).