2-(1,1-dimethoxypropoxymethyl)oxirane

C8H16O4 — CID 174508703

IUPAC2-(1,1-dimethoxypropoxymethyl)oxirane
SMILESCCC(OC)(OC)OCC1CO1
InChIInChI=1S/C8H16O4/c1-4-8(9-2,10-3)12-6-7-5-11-7/h7H,4-6H2,1-3H3
InChIKeyDEHIOGYBAIPKEH-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds6

About 2-(1,1-dimethoxypropoxymethyl)oxirane

2-(1,1-dimethoxypropoxymethyl)oxirane (PubChem CID 174508703) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(1,1-dimethoxypropoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1-dimethoxypropoxymethyl)oxirane
PubChem CID174508703
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(1,1-dimethoxypropoxymethyl)oxirane
SMILESCCC(OC)(OC)OCC1CO1
InChIInChI=1S/C8H16O4/c1-4-8(9-2,10-3)12-6-7-5-11-7/h7H,4-6H2,1-3H3
InChIKeyDEHIOGYBAIPKEH-UHFFFAOYSA-N
XLogP0.76
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxy-[3,3,3-tris(oxiran-2-ylmethoxy)propyl]silane
CID 123621626
[dimethoxy(oxiran-2-ylmethoxy)methyl]-diethoxysilane
CID 175008743
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
2-(ethylperoxymethyl)oxirane
CID 134589509
2-(2-methoxy-2-methylbutyl)oxirane
CID 88854677
2-(3-methylhex-5-en-3-yloxymethyl)oxirane
CID 21263243
2-(2,4,4,7,7,9,9-heptamethylundecan-2-yloxymethyl)oxirane
CID 123908896
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
[2,3,3-trimethoxy-3-(oxiran-2-ylmethoxy)propyl]silane
CID 174398843
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
2-(propylperoxymethyl)oxirane
CID 54276351

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxypropoxymethyl)oxirane?
The IUPAC name of 2-(1,1-dimethoxypropoxymethyl)oxirane (CID 174508703) is 2-(1,1-dimethoxypropoxymethyl)oxirane.
What is the SMILES notation for 2-(1,1-dimethoxypropoxymethyl)oxirane?
The canonical SMILES for 2-(1,1-dimethoxypropoxymethyl)oxirane is CCC(OC)(OC)OCC1CO1.
What is the InChIKey of 2-(1,1-dimethoxypropoxymethyl)oxirane?
The InChIKey is DEHIOGYBAIPKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-8(9-2,10-3)12-6-7-5-11-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-(1,1-dimethoxypropoxymethyl)oxirane?
2-(1,1-dimethoxypropoxymethyl)oxirane has a molecular weight of 176.21 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxypropoxymethyl)oxirane is sourced from PubChem (CID 174508703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).