(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal

C19H34O5Si — CID 10595367

IUPAC(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1
InChIInChI=1S/C19H34O5Si/c1-14(12-20)16-11-19(24-18(5,6)22-16)10-9-15(13-21-19)23-25(7,8)17(2,3)4/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16-,19-/m0/s1
InChIKeyQPEFVXWJLLAXLM-RCJHGTSTSA-N
MW370.56 g/mol
LogP4.04
Rot. Bonds4

About (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal

(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal (PubChem CID 10595367) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal
PubChem CID10595367
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal
SMILESC[C@@H](C=O)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1
InChIInChI=1S/C19H34O5Si/c1-14(12-20)16-11-19(24-18(5,6)22-16)10-9-15(13-21-19)23-25(7,8)17(2,3)4/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16-,19-/m0/s1
InChIKeyQPEFVXWJLLAXLM-RCJHGTSTSA-N
XLogP4.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(Z,2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-8-(oxan-2-yloxy)oct-6-enal
CID 24756262
2-[(4S,5S,6R)-6-[(1E,5E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhepta-1,5-dienyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 134922655
1-[(4S,6R)-6-[(E,3S,4S)-3,5-dimethyl-4-trimethylsilyloxyhex-1-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-2-one
CID 134939871
(E,3S,5R)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238490
(E,3S,5S)-5-(methoxymethoxy)-4,4-dimethyl-3-triethylsilyloxyoct-6-enal
CID 163238504
(E,2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-8-(oxan-2-yloxy)oct-6-enal
CID 102299685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal?
The IUPAC name of (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal (CID 10595367) is (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal.
What is the SMILES notation for (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal?
The canonical SMILES for (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal is C[C@@H](C=O)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal?
The InChIKey is QPEFVXWJLLAXLM-RCJHGTSTSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-14(12-20)16-11-19(24-18(5,6)22-16)10-9-15(13-21-19)23-25(7,8)17(2,3)4/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16-,19-/m0/s1.
What are the key properties of (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal?
(2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal has a molecular weight of 370.56 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-4-yl]propanal is sourced from PubChem (CID 10595367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).