dimethyl (Z)-2-methoxypent-2-enedioate

C8H12O5 — CID 5364212

IUPACdimethyl (Z)-2-methoxypent-2-enedioate
SMILESCOC(=O)C/C=C(\OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-11-6(8(10)13-3)4-5-7(9)12-2/h4H,5H2,1-3H3/b6-4-
InChIKeyVKPFVKSMNVODAO-XQRVVYSFSA-N
MW188.18 g/mol
LogP0.25
Rot. Bonds4

About dimethyl (Z)-2-methoxypent-2-enedioate

dimethyl (Z)-2-methoxypent-2-enedioate (PubChem CID 5364212) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is dimethyl (Z)-2-methoxypent-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-methoxypent-2-enedioate
PubChem CID5364212
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namedimethyl (Z)-2-methoxypent-2-enedioate
SMILESCOC(=O)C/C=C(\OC)C(=O)OC
InChIInChI=1S/C8H12O5/c1-11-6(8(10)13-3)4-5-7(9)12-2/h4H,5H2,1-3H3/b6-4-
InChIKeyVKPFVKSMNVODAO-XQRVVYSFSA-N
XLogP0.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methoxypent-3-enoate
CID 131857194
dimethyl (Z)-2-methoxy-7-oxooct-2-enedioate
CID 11993938
CID 88705045
CID 88705045
(3-methoxy-3-oxopropylidene)tin
CID 88790044
dimethyl 2-fluoropent-2-enedioate;4-fluoro-5-methoxy-3-methyl-5-oxopent-3-enoic acid
CID 90024029
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761
(E)-5-methoxy-2-(methoxycarbonylamino)-5-oxopent-2-enoic acid
CID 177497317
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
CID 11993936
methyl (E)-6-oxohept-3-enoate
CID 58421988
5-O-ethenyl 1-O-methyl (E)-2-methylpent-2-enedioate
CID 57466049
dimethyl oxalate
CID 11120
(4-methoxy-3-methoxycarbonyl-4-oxobut-2-enyl)-dimethylsulfanium
CID 139727571

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-methoxypent-2-enedioate?
The IUPAC name of dimethyl (Z)-2-methoxypent-2-enedioate (CID 5364212) is dimethyl (Z)-2-methoxypent-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-methoxypent-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-methoxypent-2-enedioate is COC(=O)C/C=C(\OC)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-methoxypent-2-enedioate?
The InChIKey is VKPFVKSMNVODAO-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12O5/c1-11-6(8(10)13-3)4-5-7(9)12-2/h4H,5H2,1-3H3/b6-4-.
What are the key properties of dimethyl (Z)-2-methoxypent-2-enedioate?
dimethyl (Z)-2-methoxypent-2-enedioate has a molecular weight of 188.18 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-methoxypent-2-enedioate is sourced from PubChem (CID 5364212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).