2,3-dimethylbutoxymethanol

C14H32O4 — CID 158248678

IUPAC2,3-dimethylbutoxymethanol
SMILESCC(C)C(C)COCO.CC(C)C(C)COCO
InChIInChI=1S/2C7H16O2/c2*1-6(2)7(3)4-9-5-8/h2*6-8H,4-5H2,1-3H3
InChIKeyGGLBSSYXFXRUJJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.49
Rot. Bonds8

About 2,3-dimethylbutoxymethanol

2,3-dimethylbutoxymethanol (PubChem CID 158248678) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,3-dimethylbutoxymethanol.

Molecular Properties

Compound Name2,3-dimethylbutoxymethanol
PubChem CID158248678
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Name2,3-dimethylbutoxymethanol
SMILESCC(C)C(C)COCO.CC(C)C(C)COCO
InChIInChI=1S/2C7H16O2/c2*1-6(2)7(3)4-9-5-8/h2*6-8H,4-5H2,1-3H3
InChIKeyGGLBSSYXFXRUJJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
2,5-dimethylheptoxymethanol
CID 88543296
2,3-dimethylbutoxyphosphane
CID 151975112
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
2,2-dichloroethoxymethanol
CID 71367680
2-(hydroxymethoxy)-1-(methylamino)ethanol
CID 163734431
2,3,4-trimethyl-1-propoxypentane
CID 121286105
[(E,2S,3R)-5-amino-2,3-dimethylhept-4-enoxy]methoxymethanol
CID 163445727
methyl 3,4-dimethylpentanoate
CID 554058
3-(2-ethyl-3,4,5-trimethylhexoxy)propan-1-ol
CID 122497763
(4,4-dimethyl-3-propan-2-ylpentoxy)methanol
CID 20782675
azane;hydroxymethoxymethanol
CID 174600745

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutoxymethanol?
The IUPAC name of 2,3-dimethylbutoxymethanol (CID 158248678) is 2,3-dimethylbutoxymethanol.
What is the SMILES notation for 2,3-dimethylbutoxymethanol?
The canonical SMILES for 2,3-dimethylbutoxymethanol is CC(C)C(C)COCO.CC(C)C(C)COCO.
What is the InChIKey of 2,3-dimethylbutoxymethanol?
The InChIKey is GGLBSSYXFXRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O2/c2*1-6(2)7(3)4-9-5-8/h2*6-8H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethylbutoxymethanol?
2,3-dimethylbutoxymethanol has a molecular weight of 264.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutoxymethanol is sourced from PubChem (CID 158248678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).