[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate

C23H44O5Si — CID 44556575

IUPAC[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate
SMILESC=CCC[C@](C)(OCOC)[C@@H](CC/C(C)=C/COC(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C23H44O5Si/c1-9-13-17-23(7,27-19-25-8)22(28-29(10-2,11-3)12-4)15-14-20(5)16-18-26-21(6)24/h9,16,22H,1,10-15,17-19H2,2-8H3/b20-16+/t22-,23+/m1/s1
InChIKeyNRPFLGJQGOADNA-AUAXGQTGSA-N
MW428.69 g/mol
LogP6.01
Rot. Bonds17

About [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate

[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate (PubChem CID 44556575) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate.

Molecular Properties

Compound Name[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate
PubChem CID44556575
Molecular FormulaC23H44O5Si
Molecular Weight428.69 g/mol
Exact Mass428.30
IUPAC Name[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate
SMILESC=CCC[C@](C)(OCOC)[C@@H](CC/C(C)=C/COC(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C23H44O5Si/c1-9-13-17-23(7,27-19-25-8)22(28-29(10-2,11-3)12-4)15-14-20(5)16-18-26-21(6)24/h9,16,22H,1,10-15,17-19H2,2-8H3/b20-16+/t22-,23+/m1/s1
InChIKeyNRPFLGJQGOADNA-AUAXGQTGSA-N
XLogP6.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate with MolForge

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Related Compounds

(2E,6S,7R,10E)-12-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-1-ol
CID 11273873
ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
[(2Z,6R,7R,8E)-6-hydroxy-9-iodo-3,7-dimethylnona-2,8-dienyl] acetate
CID 23242989
methyl (E)-6-acetyloxy-4-methylhex-4-enoate
CID 10878162
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858
[(E)-3-methyl-7-oxooct-2-enyl] acetate
CID 11019848
[(2E,6E)-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 10878979
ethyl (E)-10-(methoxymethoxy)-6,10-dimethyl-3-prop-1-en-2-yl-13-tri(propan-2-yl)silyloxytridec-6-en-11-ynoate
CID 10347126
[(E,6R)-6-hydroxy-6-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enyl] acetate
CID 72695955

Frequently Asked Questions

What is the IUPAC name of [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate?
The IUPAC name of [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate (CID 44556575) is [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate.
What is the SMILES notation for [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate?
The canonical SMILES for [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate is C=CCC[C@](C)(OCOC)[C@@H](CC/C(C)=C/COC(C)=O)O[Si](CC)(CC)CC.
What is the InChIKey of [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate?
The InChIKey is NRPFLGJQGOADNA-AUAXGQTGSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-9-13-17-23(7,27-19-25-8)22(28-29(10-2,11-3)12-4)15-14-20(5)16-18-26-21(6)24/h9,16,22H,1,10-15,17-19H2,2-8H3/b20-16+/t22-,23+/m1/s1.
What are the key properties of [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate?
[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate has a molecular weight of 428.69 g/mol, XLogP of 6.01, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate is sourced from PubChem (CID 44556575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).