bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

C14H24O6 — CID 154684438

IUPACbis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
SMILESCC1(C(=O)OCCO)CCC(C(=O)OCCO)C1(C)C
InChIInChI=1S/C14H24O6/c1-13(2)10(11(17)19-8-6-15)4-5-14(13,3)12(18)20-9-7-16/h10,15-16H,4-9H2,1-3H3
InChIKeyTXTHPRMIFMBETP-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.50
Rot. Bonds6

About bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate

bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate (PubChem CID 154684438) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
PubChem CID154684438
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namebis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
SMILESCC1(C(=O)OCCO)CCC(C(=O)OCCO)C1(C)C
InChIInChI=1S/C14H24O6/c1-13(2)10(11(17)19-8-6-15)4-5-14(13,3)12(18)20-9-7-16/h10,15-16H,4-9H2,1-3H3
InChIKeyTXTHPRMIFMBETP-UHFFFAOYSA-N
XLogP0.50
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The IUPAC name of bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate (CID 154684438) is bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate.
What is the SMILES notation for bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The canonical SMILES for bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate is CC1(C(=O)OCCO)CCC(C(=O)OCCO)C1(C)C.
What is the InChIKey of bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The InChIKey is TXTHPRMIFMBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2)10(11(17)19-8-6-15)4-5-14(13,3)12(18)20-9-7-16/h10,15-16H,4-9H2,1-3H3.
What are the key properties of bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate has a molecular weight of 288.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 154684438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).