2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane

C13H28O3 — CID 90308316

IUPAC2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane
SMILESCOC(C)(C)C(C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C13H28O3/c1-11(2,14-7)10(12(3,4)15-8)13(5,6)16-9/h10H,1-9H3
InChIKeyOBAIUHUCGUKOSI-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.88
Rot. Bonds6

About 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane

2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane (PubChem CID 90308316) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane.

Molecular Properties

Compound Name2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane
PubChem CID90308316
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane
SMILESCOC(C)(C)C(C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C13H28O3/c1-11(2,14-7)10(12(3,4)15-8)13(5,6)16-9/h10H,1-9H3
InChIKeyOBAIUHUCGUKOSI-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane?
The IUPAC name of 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane (CID 90308316) is 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane.
What is the SMILES notation for 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane?
The canonical SMILES for 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane is COC(C)(C)C(C(C)(C)OC)C(C)(C)OC.
What is the InChIKey of 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane?
The InChIKey is OBAIUHUCGUKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-11(2,14-7)10(12(3,4)15-8)13(5,6)16-9/h10H,1-9H3.
What are the key properties of 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane?
2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane has a molecular weight of 232.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-(2-methoxypropan-2-yl)-2,4-dimethylpentane is sourced from PubChem (CID 90308316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).