3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane

C9H18O4 — CID 58932324

IUPAC3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane
SMILESCOCC(C)OCCC1(C)COO1
InChIInChI=1S/C9H18O4/c1-8(6-10-3)11-5-4-9(2)7-12-13-9/h8H,4-7H2,1-3H3
InChIKeyZDUZKDVFRAPPRS-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.15
Rot. Bonds6

About 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane

3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane (PubChem CID 58932324) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane.

Molecular Properties

Compound Name3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane
PubChem CID58932324
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane
SMILESCOCC(C)OCCC1(C)COO1
InChIInChI=1S/C9H18O4/c1-8(6-10-3)11-5-4-9(2)7-12-13-9/h8H,4-7H2,1-3H3
InChIKeyZDUZKDVFRAPPRS-UHFFFAOYSA-N
XLogP1.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(Ethoxymethyl)-3,4,4-trimethyldioxetane
CID 13837622
2,2-Bis(ethoxymethyl)oxetane
CID 22486032
3-Ethyl-3-(4-methoxybutoxy)oxetane
CID 57866585
2-(4-Methoxybutoxymethyl)-2-methyloxetane
CID 58383014
1-[2-(3-Methyldioxetan-3-yl)ethoxy]propan-2-ol
CID 58599589
3-[2-(2-Ethoxypropoxy)propoxymethyl]-3-ethyloxetane
CID 58827383
2-[2-(2-Ethoxyethoxy)ethoxymethyl]-3,3-dimethyloxetane
CID 58827384
2-[2-(3-Methyldioxetan-3-yl)ethoxy]propan-1-ol
CID 59042018
2,3-Dimethyl-3-(2-methylbutoxy)oxetane
CID 59818377
2,3-Bis(butoxymethyl)oxetane
CID 71037395
1-Ethoxy-4-methoxy-2-(methoxymethyl)-2-propan-2-yloxybutane
CID 87894328
3-(2,3-Dimethoxypropoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 91018330

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane?
The IUPAC name of 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane (CID 58932324) is 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane.
What is the SMILES notation for 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane?
The canonical SMILES for 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane is COCC(C)OCCC1(C)COO1.
What is the InChIKey of 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane?
The InChIKey is ZDUZKDVFRAPPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(6-10-3)11-5-4-9(2)7-12-13-9/h8H,4-7H2,1-3H3.
What are the key properties of 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane?
3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane has a molecular weight of 190.24 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxypropan-2-yloxy)ethyl]-3-methyldioxetane is sourced from PubChem (CID 58932324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).