2,2-bis(2-methoxyethoxy)propane

C9H20O4 — CID 87549355

IUPAC2,2-bis(2-methoxyethoxy)propane
SMILESCOCCOC(C)(C)OCCOC
InChIInChI=1S/C9H20O4/c1-9(2,12-7-5-10-3)13-8-6-11-4/h5-8H2,1-4H3
InChIKeyDPOGBBBCQBVWNF-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.05
Rot. Bonds8

About 2,2-bis(2-methoxyethoxy)propane

2,2-bis(2-methoxyethoxy)propane (PubChem CID 87549355) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,2-bis(2-methoxyethoxy)propane.

Molecular Properties

Compound Name2,2-bis(2-methoxyethoxy)propane
PubChem CID87549355
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2,2-bis(2-methoxyethoxy)propane
SMILESCOCCOC(C)(C)OCCOC
InChIInChI=1S/C9H20O4/c1-9(2,12-7-5-10-3)13-8-6-11-4/h5-8H2,1-4H3
InChIKeyDPOGBBBCQBVWNF-UHFFFAOYSA-N
XLogP1.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyethoxy)propane?
The IUPAC name of 2,2-bis(2-methoxyethoxy)propane (CID 87549355) is 2,2-bis(2-methoxyethoxy)propane.
What is the SMILES notation for 2,2-bis(2-methoxyethoxy)propane?
The canonical SMILES for 2,2-bis(2-methoxyethoxy)propane is COCCOC(C)(C)OCCOC.
What is the InChIKey of 2,2-bis(2-methoxyethoxy)propane?
The InChIKey is DPOGBBBCQBVWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2,12-7-5-10-3)13-8-6-11-4/h5-8H2,1-4H3.
What are the key properties of 2,2-bis(2-methoxyethoxy)propane?
2,2-bis(2-methoxyethoxy)propane has a molecular weight of 192.25 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxyethoxy)propane is sourced from PubChem (CID 87549355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).