1,2,4,4-tetramethoxy-2,3-dimethylpentane

C11H24O4 — CID 90464397

IUPAC1,2,4,4-tetramethoxy-2,3-dimethylpentane
SMILESCOCC(C)(OC)C(C)C(C)(OC)OC
InChIInChI=1S/C11H24O4/c1-9(11(3,14-6)15-7)10(2,13-5)8-12-4/h9H,8H2,1-7H3
InChIKeyJNAJWEBKMFYREL-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.68
Rot. Bonds7

About 1,2,4,4-tetramethoxy-2,3-dimethylpentane

1,2,4,4-tetramethoxy-2,3-dimethylpentane (PubChem CID 90464397) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,2,4,4-tetramethoxy-2,3-dimethylpentane.

Molecular Properties

Compound Name1,2,4,4-tetramethoxy-2,3-dimethylpentane
PubChem CID90464397
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1,2,4,4-tetramethoxy-2,3-dimethylpentane
SMILESCOCC(C)(OC)C(C)C(C)(OC)OC
InChIInChI=1S/C11H24O4/c1-9(11(3,14-6)15-7)10(2,13-5)8-12-4/h9H,8H2,1-7H3
InChIKeyJNAJWEBKMFYREL-UHFFFAOYSA-N
XLogP1.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethoxy-2,3-dimethylpentane?
The IUPAC name of 1,2,4,4-tetramethoxy-2,3-dimethylpentane (CID 90464397) is 1,2,4,4-tetramethoxy-2,3-dimethylpentane.
What is the SMILES notation for 1,2,4,4-tetramethoxy-2,3-dimethylpentane?
The canonical SMILES for 1,2,4,4-tetramethoxy-2,3-dimethylpentane is COCC(C)(OC)C(C)C(C)(OC)OC.
What is the InChIKey of 1,2,4,4-tetramethoxy-2,3-dimethylpentane?
The InChIKey is JNAJWEBKMFYREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-9(11(3,14-6)15-7)10(2,13-5)8-12-4/h9H,8H2,1-7H3.
What are the key properties of 1,2,4,4-tetramethoxy-2,3-dimethylpentane?
1,2,4,4-tetramethoxy-2,3-dimethylpentane has a molecular weight of 220.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethoxy-2,3-dimethylpentane is sourced from PubChem (CID 90464397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).