2,2-dimethoxy-3-methyl-4-propan-2-yloxetane

C9H18O3 — CID 13429188

IUPAC2,2-dimethoxy-3-methyl-4-propan-2-yloxetane
SMILESCOC1(OC)OC(C(C)C)C1C
InChIInChI=1S/C9H18O3/c1-6(2)8-7(3)9(10-4,11-5)12-8/h6-8H,1-5H3
InChIKeyNWXNAIXSUZLZMY-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.62
Rot. Bonds3

About 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane

2,2-dimethoxy-3-methyl-4-propan-2-yloxetane (PubChem CID 13429188) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane.

Molecular Properties

Compound Name2,2-dimethoxy-3-methyl-4-propan-2-yloxetane
PubChem CID13429188
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,2-dimethoxy-3-methyl-4-propan-2-yloxetane
SMILESCOC1(OC)OC(C(C)C)C1C
InChIInChI=1S/C9H18O3/c1-6(2)8-7(3)9(10-4,11-5)12-8/h6-8H,1-5H3
InChIKeyNWXNAIXSUZLZMY-UHFFFAOYSA-N
XLogP1.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
CID 135353779
2,2-Dimethoxy-3,3-dimethyl-4-propan-2-yloxetane
CID 85889112
3-Triethoxy-4-methylpentane
CID 129805321
2,2-Diethoxy-4-methylpentane
CID 12885742
2,2,5-Trimethyl-4-propan-2-yl-1,3-dioxane
CID 13969824
2,2-Dimethyl-5-(2-methylpropyl)-1,3-dioxane
CID 15006025
2,2-Dibutoxy-4-methylpentane
CID 15006037
4-Methyl-2,2-di(propan-2-yloxy)pentane
CID 20071913
2,4-Dimethyl-3,3-di(propan-2-yloxy)pentane
CID 20071914
4-Methyl-2,2-dipropoxypentane
CID 20071925
4-Methyl-1-[2-(4-methylpentoxy)propan-2-yloxy]pentane
CID 58319895
CID 59269205
CID 59269205

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane?
The IUPAC name of 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane (CID 13429188) is 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane.
What is the SMILES notation for 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane?
The canonical SMILES for 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane is COC1(OC)OC(C(C)C)C1C.
What is the InChIKey of 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane?
The InChIKey is NWXNAIXSUZLZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)8-7(3)9(10-4,11-5)12-8/h6-8H,1-5H3.
What are the key properties of 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane?
2,2-dimethoxy-3-methyl-4-propan-2-yloxetane has a molecular weight of 174.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3-methyl-4-propan-2-yloxetane is sourced from PubChem (CID 13429188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).