methyl (E)-4,4,5,5-tetramethoxypent-2-enoate

C10H18O6 — CID 134937644

IUPACmethyl (E)-4,4,5,5-tetramethoxypent-2-enoate
SMILESCOC(=O)/C=C/C(OC)(OC)C(OC)OC
InChIInChI=1S/C10H18O6/c1-12-8(11)6-7-10(15-4,16-5)9(13-2)14-3/h6-7,9H,1-5H3/b7-6+
InChIKeyOIDAEUPCWXSCLC-VOTSOKGWSA-N
MW234.25 g/mol
LogP0.32
Rot. Bonds7

About methyl (E)-4,4,5,5-tetramethoxypent-2-enoate

methyl (E)-4,4,5,5-tetramethoxypent-2-enoate (PubChem CID 134937644) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (E)-4,4,5,5-tetramethoxypent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4,4,5,5-tetramethoxypent-2-enoate
PubChem CID134937644
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl (E)-4,4,5,5-tetramethoxypent-2-enoate
SMILESCOC(=O)/C=C/C(OC)(OC)C(OC)OC
InChIInChI=1S/C10H18O6/c1-12-8(11)6-7-10(15-4,16-5)9(13-2)14-3/h6-7,9H,1-5H3/b7-6+
InChIKeyOIDAEUPCWXSCLC-VOTSOKGWSA-N
XLogP0.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
2-Pentenoic acid, 4,4-dimethoxy-, methyl ester, (E)-
CID 5372706
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
Ethyl 5,5-diethoxy-2-pentenoate
CID 85440878
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 5363635
Ethyl (R)-cis-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propenoate
CID 11052628
(5S,6S)-5,6-Dihydro-5-(methoxymethoxy)-6-methyl-2H-pyran-2-one
CID 10899137
5-(Acetyloxy)-5-(1,3-dioxolan-2-yl)-2,5-dihydro-2-furanone
CID 14024673
methyl (E)-5-hydroxy-4,4-dimethoxypent-2-enoate
CID 24972145

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4,4,5,5-tetramethoxypent-2-enoate?
The IUPAC name of methyl (E)-4,4,5,5-tetramethoxypent-2-enoate (CID 134937644) is methyl (E)-4,4,5,5-tetramethoxypent-2-enoate.
What is the SMILES notation for methyl (E)-4,4,5,5-tetramethoxypent-2-enoate?
The canonical SMILES for methyl (E)-4,4,5,5-tetramethoxypent-2-enoate is COC(=O)/C=C/C(OC)(OC)C(OC)OC.
What is the InChIKey of methyl (E)-4,4,5,5-tetramethoxypent-2-enoate?
The InChIKey is OIDAEUPCWXSCLC-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O6/c1-12-8(11)6-7-10(15-4,16-5)9(13-2)14-3/h6-7,9H,1-5H3/b7-6+.
What are the key properties of methyl (E)-4,4,5,5-tetramethoxypent-2-enoate?
methyl (E)-4,4,5,5-tetramethoxypent-2-enoate has a molecular weight of 234.25 g/mol, XLogP of 0.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4,4,5,5-tetramethoxypent-2-enoate is sourced from PubChem (CID 134937644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).