(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid

C11H16O4 — CID 135353629

IUPAC(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
SMILESCC1CCCC1(C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyGUSKJWFLMHWLDM-VURMDHGXSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds3

About (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid

(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid (PubChem CID 135353629) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
PubChem CID135353629
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid
SMILESCC1CCCC1(C)/C(=C\C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-
InChIKeyGUSKJWFLMHWLDM-VURMDHGXSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The IUPAC name of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid (CID 135353629) is (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid.
What is the SMILES notation for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The canonical SMILES for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid is CC1CCCC1(C)/C(=C\C(=O)O)C(=O)O.
What is the InChIKey of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
The InChIKey is GUSKJWFLMHWLDM-VURMDHGXSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-4-3-5-11(7,2)8(10(14)15)6-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/b8-6-.
What are the key properties of (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid?
(E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid has a molecular weight of 212.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,2-dimethylcyclopentyl)but-2-enedioic acid is sourced from PubChem (CID 135353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).