1,5-dimethoxy-3-methylpentane

C8H18O2 — CID 20571170

IUPAC1,5-dimethoxy-3-methylpentane
SMILESCOCCC(C)CCOC
InChIInChI=1S/C8H18O2/c1-8(4-6-9-2)5-7-10-3/h8H,4-7H2,1-3H3
InChIKeyQZXWSCAEICODIW-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.70
Rot. Bonds6

About 1,5-dimethoxy-3-methylpentane

1,5-dimethoxy-3-methylpentane (PubChem CID 20571170) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,5-dimethoxy-3-methylpentane.

Molecular Properties

Compound Name1,5-dimethoxy-3-methylpentane
PubChem CID20571170
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1,5-dimethoxy-3-methylpentane
SMILESCOCCC(C)CCOC
InChIInChI=1S/C8H18O2/c1-8(4-6-9-2)5-7-10-3/h8H,4-7H2,1-3H3
InChIKeyQZXWSCAEICODIW-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-methylpentane?
The IUPAC name of 1,5-dimethoxy-3-methylpentane (CID 20571170) is 1,5-dimethoxy-3-methylpentane.
What is the SMILES notation for 1,5-dimethoxy-3-methylpentane?
The canonical SMILES for 1,5-dimethoxy-3-methylpentane is COCCC(C)CCOC.
What is the InChIKey of 1,5-dimethoxy-3-methylpentane?
The InChIKey is QZXWSCAEICODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-8(4-6-9-2)5-7-10-3/h8H,4-7H2,1-3H3.
What are the key properties of 1,5-dimethoxy-3-methylpentane?
1,5-dimethoxy-3-methylpentane has a molecular weight of 146.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-methylpentane is sourced from PubChem (CID 20571170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).