[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate

C17H24O6 — CID 10615961

IUPAC[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
SMILESCOCCOCO[C@@H](C)/C=C/[C@@H](OC(=O)OC)c1ccccc1
InChIInChI=1S/C17H24O6/c1-14(22-13-21-12-11-19-2)9-10-16(23-17(18)20-3)15-7-5-4-6-8-15/h4-10,14,16H,11-13H2,1-3H3/b10-9+/t14-,16+/m0/s1
InChIKeySMNOWUPTJWFEMV-KTMLPXRHSA-N
MW324.37 g/mol
LogP3.09
Rot. Bonds10

About [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate

[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate (PubChem CID 10615961) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
PubChem CID10615961
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
SMILESCOCCOCO[C@@H](C)/C=C/[C@@H](OC(=O)OC)c1ccccc1
InChIInChI=1S/C17H24O6/c1-14(22-13-21-12-11-19-2)9-10-16(23-17(18)20-3)15-7-5-4-6-8-15/h4-10,14,16H,11-13H2,1-3H3/b10-9+/t14-,16+/m0/s1
InChIKeySMNOWUPTJWFEMV-KTMLPXRHSA-N
XLogP3.09
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,6S)-6-(2-methoxyethoxymethoxy)-3-phenylhept-4-enoic acid
CID 100924631
[(1S)-3-deuterio-1-phenylprop-2-enyl] methyl carbonate
CID 101333551
[(E,3S)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935898
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
CID 71346102
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
[(Z)-1-phenylbut-2-enyl] 2-methoxyacetate
CID 15261942
[(1R)-2-hydroxy-1,2,2-triphenylethyl] (3S,5R)-3-hydroxy-5-(2-methoxyethoxymethoxy)hexanoate
CID 14201848
methoxymethyl 2-phenylpropaneperoxoate
CID 87704829
[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene
CID 15252820
2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
CID 11424981
2-methoxyethoxymethyl benzoate
CID 11275823

Frequently Asked Questions

What is the IUPAC name of [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate?
The IUPAC name of [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate (CID 10615961) is [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate.
What is the SMILES notation for [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate?
The canonical SMILES for [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate is COCCOCO[C@@H](C)/C=C/[C@@H](OC(=O)OC)c1ccccc1.
What is the InChIKey of [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate?
The InChIKey is SMNOWUPTJWFEMV-KTMLPXRHSA-N. The full InChI is InChI=1S/C17H24O6/c1-14(22-13-21-12-11-19-2)9-10-16(23-17(18)20-3)15-7-5-4-6-8-15/h4-10,14,16H,11-13H2,1-3H3/b10-9+/t14-,16+/m0/s1.
What are the key properties of [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate?
[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate has a molecular weight of 324.37 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate is sourced from PubChem (CID 10615961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).