2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane

C17H34O5 — CID 146626109

IUPAC2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
SMILESCCC(C)COCC(CC)(COCCOC)COCC1CO1
InChIInChI=1S/C17H34O5/c1-5-15(3)9-20-13-17(6-2,12-19-8-7-18-4)14-21-10-16-11-22-16/h15-16H,5-14H2,1-4H3
InChIKeyQVVCNDPSDKBCHI-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.52
Rot. Bonds15

About 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane

2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane (PubChem CID 146626109) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
PubChem CID146626109
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
SMILESCCC(C)COCC(CC)(COCCOC)COCC1CO1
InChIInChI=1S/C17H34O5/c1-5-15(3)9-20-13-17(6-2,12-19-8-7-18-4)14-21-10-16-11-22-16/h15-16H,5-14H2,1-4H3
InChIKeyQVVCNDPSDKBCHI-UHFFFAOYSA-N
XLogP2.52
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.52
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

2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane;2-[2-methyl-3-(oxiran-2-ylmethoxy)propoxy]oxirane;2-[2-(oxiran-2-ylmethoxy)ethoxymethoxymethyl]oxirane;2-(oxiran-2-ylmethoxymethoxymethoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethoxymethyl)oxirane
CID 163797602
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
CID 161499535
[2-(2-methoxyethoxymethyl)-2-(oxiran-2-ylmethoxymethyl)butyl] 3-[3,5-bis[3-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
CID 138712368
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
CID 22131922
2-(9-methylundecoxymethyl)oxirane
CID 167130784
1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
CID 58991248
2-[2-(2-bromoethoxy)ethoxy]-1-(2-methoxyethoxy)propane;2-[2-[1-(2-methoxyethoxy)propan-2-yloxy]ethoxymethyl]oxirane
CID 163522489
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane (CID 146626109) is 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane is CCC(C)COCC(CC)(COCCOC)COCC1CO1.
What is the InChIKey of 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane?
The InChIKey is QVVCNDPSDKBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5/c1-5-15(3)9-20-13-17(6-2,12-19-8-7-18-4)14-21-10-16-11-22-16/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane?
2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane has a molecular weight of 318.45 g/mol, XLogP of 2.52, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane is sourced from PubChem (CID 146626109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).