dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate

C24H26O12 — CID 12015468

IUPACdimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1=CC=C1C(C(=O)OC)=C(OC)C(OC)=C1C(=O)OC
InChIInChI=1S/C24H26O12/c1-29-17-13(21(25)33-5)11(14(18(17)30-2)22(26)34-6)9-10-12-15(23(27)35-7)19(31-3)20(32-4)16(12)24(28)36-8/h9-10H,1-8H3
InChIKeyOVCLNSSECRQACG-UHFFFAOYSA-N
MW506.46 g/mol
LogP1.16
Rot. Bonds9

About dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate

dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (PubChem CID 12015468) has the molecular formula C24H26O12 and a molecular weight of 506.46 g/mol. Its IUPAC name is dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
PubChem CID12015468
Molecular FormulaC24H26O12
Molecular Weight506.46 g/mol
Exact Mass506.14
IUPAC Namedimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1=CC=C1C(C(=O)OC)=C(OC)C(OC)=C1C(=O)OC
InChIInChI=1S/C24H26O12/c1-29-17-13(21(25)33-5)11(14(18(17)30-2)22(26)34-6)9-10-12-15(23(27)35-7)19(31-3)20(32-4)16(12)24(28)36-8/h9-10H,1-8H3
InChIKeyOVCLNSSECRQACG-UHFFFAOYSA-N
XLogP1.16
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.46
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate (CID 12015468) is dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is COC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1=CC=C1C(C(=O)OC)=C(OC)C(OC)=C1C(=O)OC.
What is the InChIKey of dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
The InChIKey is OVCLNSSECRQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O12/c1-29-17-13(21(25)33-5)11(14(18(17)30-2)22(26)34-6)9-10-12-15(23(27)35-7)19(31-3)20(32-4)16(12)24(28)36-8/h9-10H,1-8H3.
What are the key properties of dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate?
dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate has a molecular weight of 506.46 g/mol, XLogP of 1.16, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-[3,4-dimethoxy-2,5-bis(methoxycarbonyl)cyclopenta-2,4-dien-1-ylidene]ethylidene]-4,5-dimethoxycyclopenta-3,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 12015468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).