1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid

C10H16O4 — CID 21491

IUPAC1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLSPHULWDVZXLIL-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.60
Rot. Bonds2

About 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid

1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid (PubChem CID 21491) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
PubChem CID21491
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLSPHULWDVZXLIL-UHFFFAOYSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid?
The IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid (CID 21491) is 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid.
What is the SMILES notation for 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid?
The canonical SMILES for 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid is CC1(C(=O)O)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid?
The InChIKey is LSPHULWDVZXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid?
1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid is sourced from PubChem (CID 21491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).