methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate

C17H24O4 — CID 15701071

IUPACmethyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate
SMILESCOC(=O)C/C=C/[C@H](C)[C@H](COCc1ccccc1)OC
InChIInChI=1S/C17H24O4/c1-14(8-7-11-17(18)20-3)16(19-2)13-21-12-15-9-5-4-6-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-7+/t14-,16-/m0/s1
InChIKeyJUEIILUQEWVURH-MNJDHSKXSA-N
MW292.38 g/mol
LogP2.97
Rot. Bonds9

About methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate

methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate (PubChem CID 15701071) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate.

Molecular Properties

Compound Namemethyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate
PubChem CID15701071
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate
SMILESCOC(=O)C/C=C/[C@H](C)[C@H](COCc1ccccc1)OC
InChIInChI=1S/C17H24O4/c1-14(8-7-11-17(18)20-3)16(19-2)13-21-12-15-9-5-4-6-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-7+/t14-,16-/m0/s1
InChIKeyJUEIILUQEWVURH-MNJDHSKXSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E,5S,6R,7S)-6-hydroxy-5,7-dimethyl-8-phenylmethoxyoct-3-enoate
CID 11278189
methyl (E,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-phenylmethoxyhept-3-enoate
CID 134881146
methyl (E,5S,6S,7S)-6-(methoxycarbonylamino)-5-methyl-7-phenylmethoxyoct-3-enoate
CID 101078147
methyl (E,5S,6R,7S)-4-ethyl-6-hydroxy-5,7-dimethyl-8-phenylmethoxyoct-3-enoate
CID 102063928
methyl (Z,5S,6R)-6-(methoxycarbonylamino)-4,5-dimethyl-7-phenylmethoxyhept-3-enoate
CID 177424086
methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate
CID 11415120
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656

Frequently Asked Questions

What is the IUPAC name of methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate?
The IUPAC name of methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate (CID 15701071) is methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate.
What is the SMILES notation for methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate?
The canonical SMILES for methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate is COC(=O)C/C=C/[C@H](C)[C@H](COCc1ccccc1)OC.
What is the InChIKey of methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate?
The InChIKey is JUEIILUQEWVURH-MNJDHSKXSA-N. The full InChI is InChI=1S/C17H24O4/c1-14(8-7-11-17(18)20-3)16(19-2)13-21-12-15-9-5-4-6-10-15/h4-10,14,16H,11-13H2,1-3H3/b8-7+/t14-,16-/m0/s1.
What are the key properties of methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate?
methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate has a molecular weight of 292.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5S,6R)-6-methoxy-5-methyl-7-phenylmethoxyhept-3-enoate is sourced from PubChem (CID 15701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).