2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane

C9H20O3 — CID 59134906

IUPAC2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane
SMILESCOCC(COC)OC(C)(C)C
InChIInChI=1S/C9H20O3/c1-9(2,3)12-8(6-10-4)7-11-5/h8H,6-7H2,1-5H3
InChIKeyRCXPRNIOUODXAH-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.46
Rot. Bonds5

About 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane

2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane (PubChem CID 59134906) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane.

Molecular Properties

Compound Name2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane
PubChem CID59134906
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane
SMILESCOCC(COC)OC(C)(C)C
InChIInChI=1S/C9H20O3/c1-9(2,3)12-8(6-10-4)7-11-5/h8H,6-7H2,1-5H3
InChIKeyRCXPRNIOUODXAH-UHFFFAOYSA-N
XLogP1.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane?
The IUPAC name of 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane (CID 59134906) is 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane.
What is the SMILES notation for 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane?
The canonical SMILES for 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane is COCC(COC)OC(C)(C)C.
What is the InChIKey of 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane?
The InChIKey is RCXPRNIOUODXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-9(2,3)12-8(6-10-4)7-11-5/h8H,6-7H2,1-5H3.
What are the key properties of 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane?
2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane has a molecular weight of 176.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropane is sourced from PubChem (CID 59134906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).