methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate

C23H24N2O10 — CID 10672633

IUPACmethyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate
SMILESCCCC=C(c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC)c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC
InChIInChI=1S/C23H24N2O10/c1-6-7-8-15(16-9-13(24(28)29)11-18(20(16)32-2)22(26)34-4)17-10-14(25(30)31)12-19(21(17)33-3)23(27)35-5/h8-12H,6-7H2,1-5H3
InChIKeyDPQXKFRNJUTEFJ-UHFFFAOYSA-N
MW488.45 g/mol
LogP4.33
Rot. Bonds10

About methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate

methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate (PubChem CID 10672633) has the molecular formula C23H24N2O10 and a molecular weight of 488.45 g/mol. Its IUPAC name is methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate
PubChem CID10672633
Molecular FormulaC23H24N2O10
Molecular Weight488.45 g/mol
Exact Mass488.14
IUPAC Namemethyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate
SMILESCCCC=C(c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC)c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC
InChIInChI=1S/C23H24N2O10/c1-6-7-8-15(16-9-13(24(28)29)11-18(20(16)32-2)22(26)34-4)17-10-14(25(30)31)12-19(21(17)33-3)23(27)35-5/h8-12H,6-7H2,1-5H3
InChIKeyDPQXKFRNJUTEFJ-UHFFFAOYSA-N
XLogP4.33
TPSA157.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate?
The IUPAC name of methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate (CID 10672633) is methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate.
What is the SMILES notation for methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate?
The canonical SMILES for methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate is CCCC=C(c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC)c1cc([N+](=O)[O-])cc(C(=O)OC)c1OC.
What is the InChIKey of methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate?
The InChIKey is DPQXKFRNJUTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O10/c1-6-7-8-15(16-9-13(24(28)29)11-18(20(16)32-2)22(26)34-4)17-10-14(25(30)31)12-19(21(17)33-3)23(27)35-5/h8-12H,6-7H2,1-5H3.
What are the key properties of methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate?
methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate has a molecular weight of 488.45 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-[1-(2-methoxy-3-methoxycarbonyl-5-nitrophenyl)pent-1-enyl]-5-nitrobenzoate is sourced from PubChem (CID 10672633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).