4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid

C19H26O8 — CID 57215206

IUPAC4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid
SMILESC=C(CCCOC(=O)C(=C)CCC(C)OC(=O)C(=C)CCC(=O)O)C(=O)O
InChIInChI=1S/C19H26O8/c1-12(17(22)23)6-5-11-26-18(24)13(2)7-9-15(4)27-19(25)14(3)8-10-16(20)21/h15H,1-3,5-11H2,4H3,(H,20,21)(H,22,23)
InChIKeyGJQKUDJZWWZAEN-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.64
Rot. Bonds14

About 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid

4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid (PubChem CID 57215206) has the molecular formula C19H26O8 and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid.

Molecular Properties

Compound Name4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid
PubChem CID57215206
Molecular FormulaC19H26O8
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid
SMILESC=C(CCCOC(=O)C(=C)CCC(C)OC(=O)C(=C)CCC(=O)O)C(=O)O
InChIInChI=1S/C19H26O8/c1-12(17(22)23)6-5-11-26-18(24)13(2)7-9-15(4)27-19(25)14(3)8-10-16(20)21/h15H,1-3,5-11H2,4H3,(H,20,21)(H,22,23)
InChIKeyGJQKUDJZWWZAEN-UHFFFAOYSA-N
XLogP2.64
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
CID 57278988
4-ethoxy-2-methylidenebutanoic acid;4-[5-[6-[4-(4-methoxy-2-methylidenebutanoyl)oxy-2-methylidenehexanoyl]oxy-2-methylidenehexanoyl]oxy-2-methylidenepentanoyl]oxy-2-methylidenepentanoic acid
CID 89422437
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113
6-[2-(bromomethyl)prop-2-enoyloxy]heptanoic acid
CID 122596973
2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
CID 87602044
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
butyl 2-methylidenepentanoate;propan-2-yl 2-methylidenepentanoate
CID 134518483
2-methylidenepentanedioic acid
CID 88647821
5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
CID 54436382
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
CID 57167665

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid?
The IUPAC name of 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid (CID 57215206) is 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid.
What is the SMILES notation for 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid?
The canonical SMILES for 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid is C=C(CCCOC(=O)C(=C)CCC(C)OC(=O)C(=C)CCC(=O)O)C(=O)O.
What is the InChIKey of 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid?
The InChIKey is GJQKUDJZWWZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O8/c1-12(17(22)23)6-5-11-26-18(24)13(2)7-9-15(4)27-19(25)14(3)8-10-16(20)21/h15H,1-3,5-11H2,4H3,(H,20,21)(H,22,23).
What are the key properties of 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid?
4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid has a molecular weight of 382.41 g/mol, XLogP of 2.64, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-carboxypent-4-enoxycarbonyl)hex-5-en-2-yloxycarbonyl]pent-4-enoic acid is sourced from PubChem (CID 57215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).