1,4-dimethoxy-2-methylpentane

C8H18O2 — CID 58003999

IUPAC1,4-dimethoxy-2-methylpentane
SMILESCOCC(C)CC(C)OC
InChIInChI=1S/C8H18O2/c1-7(6-9-3)5-8(2)10-4/h7-8H,5-6H2,1-4H3
InChIKeyGELLJYOLGBCBPK-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.69
Rot. Bonds5

About 1,4-dimethoxy-2-methylpentane

1,4-dimethoxy-2-methylpentane (PubChem CID 58003999) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,4-dimethoxy-2-methylpentane.

Molecular Properties

Compound Name1,4-dimethoxy-2-methylpentane
PubChem CID58003999
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1,4-dimethoxy-2-methylpentane
SMILESCOCC(C)CC(C)OC
InChIInChI=1S/C8H18O2/c1-7(6-9-3)5-8(2)10-4/h7-8H,5-6H2,1-4H3
InChIKeyGELLJYOLGBCBPK-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
1-methoxy-2,4,5-trimethylheptane
CID 177138936
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
5-methoxy-3-methylhexanoic acid
CID 150312715
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
3-methoxy-2-methylpropane-1-thiol
CID 21429472
methane;1-methoxy-2-methylbutane
CID 159281556
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-methylpentane?
The IUPAC name of 1,4-dimethoxy-2-methylpentane (CID 58003999) is 1,4-dimethoxy-2-methylpentane.
What is the SMILES notation for 1,4-dimethoxy-2-methylpentane?
The canonical SMILES for 1,4-dimethoxy-2-methylpentane is COCC(C)CC(C)OC.
What is the InChIKey of 1,4-dimethoxy-2-methylpentane?
The InChIKey is GELLJYOLGBCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(6-9-3)5-8(2)10-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,4-dimethoxy-2-methylpentane?
1,4-dimethoxy-2-methylpentane has a molecular weight of 146.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-methylpentane is sourced from PubChem (CID 58003999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).