2,3-dimethoxy-4-methylpentane

C8H18O2 — CID 18398347

IUPAC2,3-dimethoxy-4-methylpentane
SMILESCOC(C)C(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-6(2)8(10-5)7(3)9-4/h6-8H,1-5H3
InChIKeyKWTWIRJINAJIJE-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.69
Rot. Bonds4

About 2,3-dimethoxy-4-methylpentane

2,3-dimethoxy-4-methylpentane (PubChem CID 18398347) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,3-dimethoxy-4-methylpentane.

Molecular Properties

Compound Name2,3-dimethoxy-4-methylpentane
PubChem CID18398347
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,3-dimethoxy-4-methylpentane
SMILESCOC(C)C(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-6(2)8(10-5)7(3)9-4/h6-8H,1-5H3
InChIKeyKWTWIRJINAJIJE-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-methylpentane?
The IUPAC name of 2,3-dimethoxy-4-methylpentane (CID 18398347) is 2,3-dimethoxy-4-methylpentane.
What is the SMILES notation for 2,3-dimethoxy-4-methylpentane?
The canonical SMILES for 2,3-dimethoxy-4-methylpentane is COC(C)C(OC)C(C)C.
What is the InChIKey of 2,3-dimethoxy-4-methylpentane?
The InChIKey is KWTWIRJINAJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(2)8(10-5)7(3)9-4/h6-8H,1-5H3.
What are the key properties of 2,3-dimethoxy-4-methylpentane?
2,3-dimethoxy-4-methylpentane has a molecular weight of 146.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-methylpentane is sourced from PubChem (CID 18398347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).