1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane

C13H28O4 — CID 58233676

IUPAC1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane
SMILESCOCCOCC(CC(C)(C)C)OCCOC
InChIInChI=1S/C13H28O4/c1-13(2,3)10-12(17-9-7-15-5)11-16-8-6-14-4/h12H,6-11H2,1-5H3
InChIKeyDEYNWNKKLNNZNM-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.12
Rot. Bonds10

About 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane

1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane (PubChem CID 58233676) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane.

Molecular Properties

Compound Name1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane
PubChem CID58233676
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane
SMILESCOCCOCC(CC(C)(C)C)OCCOC
InChIInChI=1S/C13H28O4/c1-13(2,3)10-12(17-9-7-15-5)11-16-8-6-14-4/h12H,6-11H2,1-5H3
InChIKeyDEYNWNKKLNNZNM-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane?
The IUPAC name of 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane (CID 58233676) is 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane.
What is the SMILES notation for 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane?
The canonical SMILES for 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane is COCCOCC(CC(C)(C)C)OCCOC.
What is the InChIKey of 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane?
The InChIKey is DEYNWNKKLNNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-13(2,3)10-12(17-9-7-15-5)11-16-8-6-14-4/h12H,6-11H2,1-5H3.
What are the key properties of 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane?
1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane has a molecular weight of 248.36 g/mol, XLogP of 2.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methoxyethoxy)-4,4-dimethylpentane is sourced from PubChem (CID 58233676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).