4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane

C14H28O5 — CID 91584937

IUPAC4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
SMILESCCCOCC1CO1.CCOCC1COC(C)(C)O1
InChIInChI=1S/C8H16O3.C6H12O2/c1-4-9-5-7-6-10-8(2,3)11-7;1-2-3-7-4-6-5-8-6/h7H,4-6H2,1-3H3;6H,2-5H2,1H3
InChIKeyHIRBIDFGVTXHCY-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.99
Rot. Bonds7

About 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane

4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane (PubChem CID 91584937) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane.

Molecular Properties

Compound Name4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
PubChem CID91584937
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
SMILESCCCOCC1CO1.CCOCC1COC(C)(C)O1
InChIInChI=1S/C8H16O3.C6H12O2/c1-4-9-5-7-6-10-8(2,3)11-7;1-2-3-7-4-6-5-8-6/h7H,4-6H2,1-3H3;6H,2-5H2,1H3
InChIKeyHIRBIDFGVTXHCY-UHFFFAOYSA-N
XLogP1.99
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
2-(propoxymethyl)oxirane
CID 18406
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
4-[[2-methoxy-3-[2-methoxy-3-(oxiran-2-ylmethoxy)propoxy]propoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 59690888
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]octadecan-6-one
CID 56946847
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
CID 10809321

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane?
The IUPAC name of 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane (CID 91584937) is 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane.
What is the SMILES notation for 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane?
The canonical SMILES for 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane is CCCOCC1CO1.CCOCC1COC(C)(C)O1.
What is the InChIKey of 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane?
The InChIKey is HIRBIDFGVTXHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H12O2/c1-4-9-5-7-6-10-8(2,3)11-7;1-2-3-7-4-6-5-8-6/h7H,4-6H2,1-3H3;6H,2-5H2,1H3.
What are the key properties of 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane?
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane has a molecular weight of 276.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane is sourced from PubChem (CID 91584937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).