methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate

C19H26O5 — CID 11336576

IUPACmethyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate
SMILESCOC(=O)[C@@H](C/C=C\COC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C19H26O5/c1-21-19(20)17(24-15-16-9-3-2-4-10-16)11-5-7-13-22-18-12-6-8-14-23-18/h2-5,7,9-10,17-18H,6,8,11-15H2,1H3/b7-5-/t17-,18?/m1/s1
InChIKeyLPBGLHNESDSCIV-FTWPBJRESA-N
MW334.41 g/mol
LogP3.23
Rot. Bonds9

About methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate

methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate (PubChem CID 11336576) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate
PubChem CID11336576
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Namemethyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate
SMILESCOC(=O)[C@@H](C/C=C\COC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C19H26O5/c1-21-19(20)17(24-15-16-9-3-2-4-10-16)11-5-7-13-22-18-12-6-8-14-23-18/h2-5,7,9-10,17-18H,6,8,11-15H2,1H3/b7-5-/t17-,18?/m1/s1
InChIKeyLPBGLHNESDSCIV-FTWPBJRESA-N
XLogP3.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-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

Benzylidene diacetate
CID 68489
Methyl 2-(benzyloxy)propanoate
CID 561764
methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
CID 154573933
(+)-(R,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746754
Methyl 2,3-di-O-acetyl-4,6-O-benzylidenehexopyranoside
CID 234981
Diethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
CID 496418
Dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
CID 719737
Prunasin acid
CID 16061681
(-)-(S,Z)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24746755
(-)-(S,E)-2-Benzyloxy-7,7-dimethoxy-hept-4-en-3-one
CID 24747712
(1R,6E,13R,15S,16R,17S)-15-octoxy-16,17-bis(phenylmethoxy)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene-3,10-dione
CID 46933696
Mls003107267
CID 320172

Frequently Asked Questions

What is the IUPAC name of methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate?
The IUPAC name of methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate (CID 11336576) is methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate.
What is the SMILES notation for methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate?
The canonical SMILES for methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate is COC(=O)[C@@H](C/C=C\COC1CCCCO1)OCc1ccccc1.
What is the InChIKey of methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate?
The InChIKey is LPBGLHNESDSCIV-FTWPBJRESA-N. The full InChI is InChI=1S/C19H26O5/c1-21-19(20)17(24-15-16-9-3-2-4-10-16)11-5-7-13-22-18-12-6-8-14-23-18/h2-5,7,9-10,17-18H,6,8,11-15H2,1H3/b7-5-/t17-,18?/m1/s1.
What are the key properties of methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate?
methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate has a molecular weight of 334.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,2R)-6-(oxan-2-yloxy)-2-phenylmethoxyhex-4-enoate is sourced from PubChem (CID 11336576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).