4,4,5-trimethylcyclopentane-1,3-dicarboxylate

C10H14O4-2 — CID 4289067

IUPAC4,4,5-trimethylcyclopentane-1,3-dicarboxylate
SMILESCC1C(C(=O)[O-])CC(C(=O)[O-])C1(C)C
InChIInChI=1S/C10H16O4/c1-5-6(8(11)12)4-7(9(13)14)10(5,2)3/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/p-2
InChIKeyVWSICSGXUBUSMN-UHFFFAOYSA-L
MW198.22 g/mol
LogP-1.22
Rot. Bonds2

About 4,4,5-trimethylcyclopentane-1,3-dicarboxylate

4,4,5-trimethylcyclopentane-1,3-dicarboxylate (PubChem CID 4289067) has the molecular formula C10H14O4-2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,4,5-trimethylcyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Name4,4,5-trimethylcyclopentane-1,3-dicarboxylate
PubChem CID4289067
Molecular FormulaC10H14O4-2
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4,4,5-trimethylcyclopentane-1,3-dicarboxylate
SMILESCC1C(C(=O)[O-])CC(C(=O)[O-])C1(C)C
InChIInChI=1S/C10H16O4/c1-5-6(8(11)12)4-7(9(13)14)10(5,2)3/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/p-2
InChIKeyVWSICSGXUBUSMN-UHFFFAOYSA-L
XLogP-1.22
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethylcyclopentane-1,3-dicarboxylate?
The IUPAC name of 4,4,5-trimethylcyclopentane-1,3-dicarboxylate (CID 4289067) is 4,4,5-trimethylcyclopentane-1,3-dicarboxylate.
What is the SMILES notation for 4,4,5-trimethylcyclopentane-1,3-dicarboxylate?
The canonical SMILES for 4,4,5-trimethylcyclopentane-1,3-dicarboxylate is CC1C(C(=O)[O-])CC(C(=O)[O-])C1(C)C.
What is the InChIKey of 4,4,5-trimethylcyclopentane-1,3-dicarboxylate?
The InChIKey is VWSICSGXUBUSMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16O4/c1-5-6(8(11)12)4-7(9(13)14)10(5,2)3/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/p-2.
What are the key properties of 4,4,5-trimethylcyclopentane-1,3-dicarboxylate?
4,4,5-trimethylcyclopentane-1,3-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of -1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethylcyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 4289067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).