1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane

C17H36O8 — CID 20606382

IUPAC1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
SMILESCOCCOCC(COCCOC)(COCCOC)COCCOC
InChIInChI=1S/C17H36O8/c1-18-5-9-22-13-17(14-23-10-6-19-2,15-24-11-7-20-3)16-25-12-8-21-4/h5-16H2,1-4H3
InChIKeyPAKLURLRHPGBSJ-UHFFFAOYSA-N
MW368.47 g/mol
LogP0.62
Rot. Bonds20

About 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane

1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane (PubChem CID 20606382) has the molecular formula C17H36O8 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
PubChem CID20606382
Molecular FormulaC17H36O8
Molecular Weight368.47 g/mol
Exact Mass368.24
IUPAC Name1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
SMILESCOCCOCC(COCCOC)(COCCOC)COCCOC
InChIInChI=1S/C17H36O8/c1-18-5-9-22-13-17(14-23-10-6-19-2,15-24-11-7-20-3)16-25-12-8-21-4/h5-16H2,1-4H3
InChIKeyPAKLURLRHPGBSJ-UHFFFAOYSA-N
XLogP0.62
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?
The IUPAC name of 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane (CID 20606382) is 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane.
What is the SMILES notation for 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?
The canonical SMILES for 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane is COCCOCC(COCCOC)(COCCOC)COCCOC.
What is the InChIKey of 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?
The InChIKey is PAKLURLRHPGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O8/c1-18-5-9-22-13-17(14-23-10-6-19-2,15-24-11-7-20-3)16-25-12-8-21-4/h5-16H2,1-4H3.
What are the key properties of 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?
1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane has a molecular weight of 368.47 g/mol, XLogP of 0.62, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane is sourced from PubChem (CID 20606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).