bis(oxolan-2-ylmethyl) nonanedioate

C19H32O6 — CID 44719224

IUPACbis(oxolan-2-ylmethyl) nonanedioate
SMILESO=C(CCCCCCCC(=O)OCC1CCCO1)OCC1CCCO1
InChIInChI=1S/C19H32O6/c20-18(24-14-16-8-6-12-22-16)10-4-2-1-3-5-11-19(21)25-15-17-9-7-13-23-17/h16-17H,1-15H2
InChIKeyIIMNSQCPCOCVIW-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.16
Rot. Bonds12

About bis(oxolan-2-ylmethyl) nonanedioate

bis(oxolan-2-ylmethyl) nonanedioate (PubChem CID 44719224) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is bis(oxolan-2-ylmethyl) nonanedioate.

Molecular Properties

Compound Namebis(oxolan-2-ylmethyl) nonanedioate
PubChem CID44719224
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Namebis(oxolan-2-ylmethyl) nonanedioate
SMILESO=C(CCCCCCCC(=O)OCC1CCCO1)OCC1CCCO1
InChIInChI=1S/C19H32O6/c20-18(24-14-16-8-6-12-22-16)10-4-2-1-3-5-11-19(21)25-15-17-9-7-13-23-17/h16-17H,1-15H2
InChIKeyIIMNSQCPCOCVIW-UHFFFAOYSA-N
XLogP3.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(oxolan-2-ylmethyl) nonanedioate?
The IUPAC name of bis(oxolan-2-ylmethyl) nonanedioate (CID 44719224) is bis(oxolan-2-ylmethyl) nonanedioate.
What is the SMILES notation for bis(oxolan-2-ylmethyl) nonanedioate?
The canonical SMILES for bis(oxolan-2-ylmethyl) nonanedioate is O=C(CCCCCCCC(=O)OCC1CCCO1)OCC1CCCO1.
What is the InChIKey of bis(oxolan-2-ylmethyl) nonanedioate?
The InChIKey is IIMNSQCPCOCVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c20-18(24-14-16-8-6-12-22-16)10-4-2-1-3-5-11-19(21)25-15-17-9-7-13-23-17/h16-17H,1-15H2.
What are the key properties of bis(oxolan-2-ylmethyl) nonanedioate?
bis(oxolan-2-ylmethyl) nonanedioate has a molecular weight of 356.46 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxolan-2-ylmethyl) nonanedioate is sourced from PubChem (CID 44719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).