ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate

C18H26O5 — CID 134839548

IUPACethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H](CCOCc1ccc(OC)cc1)OC
InChIInChI=1S/C18H26O5/c1-5-23-18(19)14(2)12-17(21-4)10-11-22-13-15-6-8-16(20-3)9-7-15/h6-9,12,17H,5,10-11,13H2,1-4H3/b14-12+/t17-/m0/s1
InChIKeyWOXDIRKYWFLTPN-VSOYFRJCSA-N
MW322.40 g/mol
LogP3.13
Rot. Bonds10

About ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate

ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate (PubChem CID 134839548) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate
PubChem CID134839548
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Nameethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@H](CCOCc1ccc(OC)cc1)OC
InChIInChI=1S/C18H26O5/c1-5-23-18(19)14(2)12-17(21-4)10-11-22-13-15-6-8-16(20-3)9-7-15/h6-9,12,17H,5,10-11,13H2,1-4H3/b14-12+/t17-/m0/s1
InChIKeyWOXDIRKYWFLTPN-VSOYFRJCSA-N
XLogP3.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-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

dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
CID 11550899
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate
CID 71347951
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate?
The IUPAC name of ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate (CID 134839548) is ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate.
What is the SMILES notation for ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate?
The canonical SMILES for ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate is CCOC(=O)/C(C)=C/[C@H](CCOCc1ccc(OC)cc1)OC.
What is the InChIKey of ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate?
The InChIKey is WOXDIRKYWFLTPN-VSOYFRJCSA-N. The full InChI is InChI=1S/C18H26O5/c1-5-23-18(19)14(2)12-17(21-4)10-11-22-13-15-6-8-16(20-3)9-7-15/h6-9,12,17H,5,10-11,13H2,1-4H3/b14-12+/t17-/m0/s1.
What are the key properties of ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate?
ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate is sourced from PubChem (CID 134839548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).