dimethyl (Z)-2-methoxyhex-2-enedioate

C9H14O5 — CID 5364613

IUPACdimethyl (Z)-2-methoxyhex-2-enedioate
SMILESCOC(=O)CC/C=C(\OC)C(=O)OC
InChIInChI=1S/C9H14O5/c1-12-7(9(11)14-3)5-4-6-8(10)13-2/h5H,4,6H2,1-3H3/b7-5-
InChIKeyLDOMFKISSJYEMT-ALCCZGGFSA-N
MW202.21 g/mol
LogP0.64
Rot. Bonds5

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

dimethyl (Z)-2-methoxyhex-2-enedioate (PubChem CID 5364613) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is dimethyl (Z)-2-methoxyhex-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-methoxyhex-2-enedioate
PubChem CID5364613
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namedimethyl (Z)-2-methoxyhex-2-enedioate
SMILESCOC(=O)CC/C=C(\OC)C(=O)OC
InChIInChI=1S/C9H14O5/c1-12-7(9(11)14-3)5-4-6-8(10)13-2/h5H,4,6H2,1-3H3/b7-5-
InChIKeyLDOMFKISSJYEMT-ALCCZGGFSA-N
XLogP0.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.64
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

Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
ethyl (Z)-2-acetyloxyhept-2-enoate
CID 21632746
ethyl (E)-2-acetyloxyhept-2-enoate
CID 21632747
ethyl (E)-2-(2,2-dimethylpropanoyloxy)hept-2-enoate
CID 21632756
Methyl 2-(acetyloxy)-4-methylpent-2-enoate
CID 53915366
Methyl 2-(acetyloxy)hex-2-enoate
CID 57322991
Ethyl 2-(acetyloxy)-4-oxopent-2-enoate
CID 71406766
Methyl 6,6,6-trifluoro-2-methoxy-5-oxohex-2-enoate
CID 86045720
methyl (Z)-6,6,6-trifluoro-2-methoxy-5-oxohex-2-enoate
CID 87557802
2-Pentenedioic acid, 2-methoxy-, dimethyl ester
CID 5364212
Ethyl 3,4-dihydro-2H-pyran-6-carboxylate
CID 12808680

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-methoxyhex-2-enedioate?
The IUPAC name of dimethyl (Z)-2-methoxyhex-2-enedioate (CID 5364613) is dimethyl (Z)-2-methoxyhex-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-methoxyhex-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-methoxyhex-2-enedioate is COC(=O)CC/C=C(\OC)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-methoxyhex-2-enedioate?
The InChIKey is LDOMFKISSJYEMT-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14O5/c1-12-7(9(11)14-3)5-4-6-8(10)13-2/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of dimethyl (Z)-2-methoxyhex-2-enedioate?
dimethyl (Z)-2-methoxyhex-2-enedioate has a molecular weight of 202.21 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-methoxyhex-2-enedioate is sourced from PubChem (CID 5364613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).