3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane

C14H30O4 — CID 91018330

IUPAC3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCOCC(COC(C)C(C)COC(C)(C)C)OC
InChIInChI=1S/C14H30O4/c1-11(8-18-14(3,4)5)12(2)17-10-13(16-7)9-15-6/h11-13H,8-10H2,1-7H3
InChIKeyOUYJMRZHNIAANO-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.50
Rot. Bonds9

About 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane

3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 91018330) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID91018330
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCOCC(COC(C)C(C)COC(C)(C)C)OC
InChIInChI=1S/C14H30O4/c1-11(8-18-14(3,4)5)12(2)17-10-13(16-7)9-15-6/h11-13H,8-10H2,1-7H3
InChIKeyOUYJMRZHNIAANO-UHFFFAOYSA-N
XLogP2.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane 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

7-Methyl-2,6,9,12-tetraoxahexadecane
CID 24838540
((Isopentyloxy)methyl)oxirane
CID 85936
1-[2-(2-Methylpropoxy)propoxy]butane
CID 58983398
Oxirane, 2,2'-((dimethyl-1,3-propanediyl)bis(oxymethylene))bis-
CID 6453146
2-(Butoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 3667169
3-Methoxy-3-methyl-1-(2-methylpropoxy)butane
CID 44602849
3-Methoxy-3-methyl-1-(3-methylbutoxy)butane
CID 44602850
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
3,3-Dimethyl-1,4,7,10,13-pentaoxacyclohexadecane
CID 90772896
2,2'-(6,,-Trimethyl-2,5,8,11-tetraoxadodecane-1,12-diyl)bisoxirane
CID 44151813
2-(2-Methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclotridecane
CID 15721732
12-(2-Methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
CID 15721735

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane (CID 91018330) is 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane is COCC(COC(C)C(C)COC(C)(C)C)OC.
What is the InChIKey of 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is OUYJMRZHNIAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-11(8-18-14(3,4)5)12(2)17-10-13(16-7)9-15-6/h11-13H,8-10H2,1-7H3.
What are the key properties of 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane?
3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 262.39 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 91018330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).