4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid

C14H18O8 — CID 175301084

IUPAC4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid
SMILESC=CCC(CC=C)(C(=O)O)C(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C14H18O8/c1-3-5-14(6-4-2,13(21)22)10(12(19)20)8(11(17)18)7-9(15)16/h3-4,8,10H,1-2,5-7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyHXPHQWNYMPBJKU-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.09
Rot. Bonds11

About 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid

4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid (PubChem CID 175301084) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid
PubChem CID175301084
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Name4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid
SMILESC=CCC(CC=C)(C(=O)O)C(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C14H18O8/c1-3-5-14(6-4-2,13(21)22)10(12(19)20)8(11(17)18)7-9(15)16/h3-4,8,10H,1-2,5-7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyHXPHQWNYMPBJKU-UHFFFAOYSA-N
XLogP1.09
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
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CID 23555180
methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
CID 174742630
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
1-[4-oxo-4-(1,2,3,4-tetracarboxy-1-phosphonobutoxy)but-2-enoyl]oxy-1-phosphonobutane-1,2,3,4-tetracarboxylic acid
CID 57228678
2-(1-prop-2-enoyloxyprop-2-enyl)butanedioic acid
CID 87111379
2-(dicarboxymethoxy)-2-prop-2-enylpropanedioic acid
CID 88801134
hexane-1,2,3,6-tetracarboxylic acid
CID 57214817
2-hydroxybutanedioic acid;prop-2-en-1-ol
CID 90283079
2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
CID 88654397
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid (CID 175301084) is 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid is C=CCC(CC=C)(C(=O)O)C(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid?
The InChIKey is HXPHQWNYMPBJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O8/c1-3-5-14(6-4-2,13(21)22)10(12(19)20)8(11(17)18)7-9(15)16/h3-4,8,10H,1-2,5-7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid?
4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid has a molecular weight of 314.29 g/mol, XLogP of 1.09, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylhept-6-ene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 175301084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).