2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane

C18H34O7 — CID 166567769

IUPAC2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
SMILESCOCOC(COCCCCCOC1CCCCO1)COCC1CO1
InChIInChI=1S/C18H34O7/c1-19-15-25-16(12-21-13-17-14-24-17)11-20-8-4-2-5-9-22-18-7-3-6-10-23-18/h16-18H,2-15H2,1H3
InChIKeyYETCOMPHSTVQBW-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.12
Rot. Bonds16

About 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane

2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane (PubChem CID 166567769) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane.

Molecular Properties

Compound Name2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
PubChem CID166567769
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
SMILESCOCOC(COCCCCCOC1CCCCO1)COCC1CO1
InChIInChI=1S/C18H34O7/c1-19-15-25-16(12-21-13-17-14-24-17)11-20-8-4-2-5-9-22-18-7-3-6-10-23-18/h16-18H,2-15H2,1H3
InChIKeyYETCOMPHSTVQBW-UHFFFAOYSA-N
XLogP2.12
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-octacosoxyoxane
CID 11214102
3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 165092022
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(6-methylheptoxy)oxane
CID 139685112

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane?
The IUPAC name of 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane (CID 166567769) is 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane.
What is the SMILES notation for 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane?
The canonical SMILES for 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane is COCOC(COCCCCCOC1CCCCO1)COCC1CO1.
What is the InChIKey of 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane?
The InChIKey is YETCOMPHSTVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7/c1-19-15-25-16(12-21-13-17-14-24-17)11-20-8-4-2-5-9-22-18-7-3-6-10-23-18/h16-18H,2-15H2,1H3.
What are the key properties of 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane?
2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane has a molecular weight of 362.46 g/mol, XLogP of 2.12, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane is sourced from PubChem (CID 166567769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).