2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

C12H26O3 — CID 129163644

IUPAC2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCOC(COC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-11(2,3)15-9-10(13-6)8-12(4,5)14-7/h10H,8-9H2,1-7H3
InChIKeyCWCVLFVRZYMACX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.63
Rot. Bonds6

About 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane

2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 129163644) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID129163644
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCOC(COC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C12H26O3/c1-11(2,3)15-9-10(13-6)8-12(4,5)14-7/h10H,8-9H2,1-7H3
InChIKeyCWCVLFVRZYMACX-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
CID 90159958
8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane
CID 170385950
8-[(2R)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane
CID 170385951
(2S,3S,4R,5S)-3,4-dimethoxy-1,6-bis[(2-methylpropan-2-yl)oxy]hexane-2,5-diol
CID 100936590
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
4-methoxy-2-methyl-2-propan-2-yloxyhexane
CID 123678820
[(2S)-1-chloro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-trimethylsilane
CID 153482913
1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane
CID 90383711
2,4-dimethoxy-4-methylpentanenitrile
CID 106676522
4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
CID 143201598
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane (CID 129163644) is 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is COC(COC(C)(C)C)CC(C)(C)OC.
What is the InChIKey of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is CWCVLFVRZYMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-11(2,3)15-9-10(13-6)8-12(4,5)14-7/h10H,8-9H2,1-7H3.
What are the key properties of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane?
2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 218.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 129163644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).