1,3-dimethoxy-2-methylpropane

C6H14O2 — CID 21024274

IUPAC1,3-dimethoxy-2-methylpropane
SMILESCOCC(C)COC
InChIInChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyHOQQNQIKEFTTKA-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.92
Rot. Bonds4

About 1,3-dimethoxy-2-methylpropane

1,3-dimethoxy-2-methylpropane (PubChem CID 21024274) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylpropane.

Molecular Properties

Compound Name1,3-dimethoxy-2-methylpropane
PubChem CID21024274
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1,3-dimethoxy-2-methylpropane
SMILESCOCC(C)COC
InChIInChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3
InChIKeyHOQQNQIKEFTTKA-UHFFFAOYSA-N
XLogP0.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methylpropane?
The IUPAC name of 1,3-dimethoxy-2-methylpropane (CID 21024274) is 1,3-dimethoxy-2-methylpropane.
What is the SMILES notation for 1,3-dimethoxy-2-methylpropane?
The canonical SMILES for 1,3-dimethoxy-2-methylpropane is COCC(C)COC.
What is the InChIKey of 1,3-dimethoxy-2-methylpropane?
The InChIKey is HOQQNQIKEFTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethoxy-2-methylpropane?
1,3-dimethoxy-2-methylpropane has a molecular weight of 118.18 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methylpropane is sourced from PubChem (CID 21024274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).