(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal

C16H32O4Si — CID 25259704

IUPAC(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal
SMILESCOCO[C@@H](C=O)[C@H](C)/C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-13(14(2)15(11-17)19-12-18-6)9-10-20-21(7,8)16(3,4)5/h9,11,14-15H,10,12H2,1-8H3/b13-9-/t14-,15+/m1/s1
InChIKeyHCDNASSMXSOIJG-XZVYODRBSA-N
MW316.51 g/mol
LogP3.78
Rot. Bonds9

About (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal

(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal (PubChem CID 25259704) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal.

Molecular Properties

Compound Name(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal
PubChem CID25259704
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal
SMILESCOCO[C@@H](C=O)[C@H](C)/C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-13(14(2)15(11-17)19-12-18-6)9-10-20-21(7,8)16(3,4)5/h9,11,14-15H,10,12H2,1-8H3/b13-9-/t14-,15+/m1/s1
InChIKeyHCDNASSMXSOIJG-XZVYODRBSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal with MolForge

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxy-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
CID 175557680
[Tert-butyl(dimethyl)silyl] 7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enoate
CID 175557682
(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
CID 175557684
(E,2R,3S,6S,7S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
CID 176013211
(E,6S,7R)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,9-bis(methoxymethoxy)-4-methylnon-4-enal
CID 10094370
(4E,8E,10S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-10,13-bis(methoxymethoxy)-4,8-dimethyltrideca-4,8-dienal
CID 10413661
(E,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal
CID 102283268
(4E,8E,10S,11S)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-10,13-bis(methoxymethoxy)-4,8-dimethyltrideca-4,8-dienal
CID 135746593

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal?
The IUPAC name of (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal (CID 25259704) is (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal.
What is the SMILES notation for (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal?
The canonical SMILES for (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal is COCO[C@@H](C=O)[C@H](C)/C(C)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal?
The InChIKey is HCDNASSMXSOIJG-XZVYODRBSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-13(14(2)15(11-17)19-12-18-6)9-10-20-21(7,8)16(3,4)5/h9,11,14-15H,10,12H2,1-8H3/b13-9-/t14-,15+/m1/s1.
What are the key properties of (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal?
(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal has a molecular weight of 316.51 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-3,4-dimethylhex-4-enal is sourced from PubChem (CID 25259704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).