bis(2-butoxyethyl) hexanedioate

C18H34O6 — CID 8837

IUPACbis(2-butoxyethyl) hexanedioate
SMILESCCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
InChIInChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3
InChIKeyIHTSDBYPAZEUOP-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.27
Rot. Bonds17

About bis(2-butoxyethyl) hexanedioate

bis(2-butoxyethyl) hexanedioate (PubChem CID 8837) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is bis(2-butoxyethyl) hexanedioate.

Molecular Properties

Compound Namebis(2-butoxyethyl) hexanedioate
PubChem CID8837
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Namebis(2-butoxyethyl) hexanedioate
SMILESCCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
InChIInChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3
InChIKeyIHTSDBYPAZEUOP-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-butoxyethyl) hexanedioate 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-butoxyethyl) hexanedioate?
The IUPAC name of bis(2-butoxyethyl) hexanedioate (CID 8837) is bis(2-butoxyethyl) hexanedioate.
What is the SMILES notation for bis(2-butoxyethyl) hexanedioate?
The canonical SMILES for bis(2-butoxyethyl) hexanedioate is CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC.
What is the InChIKey of bis(2-butoxyethyl) hexanedioate?
The InChIKey is IHTSDBYPAZEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3.
What are the key properties of bis(2-butoxyethyl) hexanedioate?
bis(2-butoxyethyl) hexanedioate has a molecular weight of 346.46 g/mol, XLogP of 3.27, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethyl) hexanedioate is sourced from PubChem (CID 8837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).