3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

C22H42O8 — CID 165092022

IUPAC3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCCO.C=CCCOCCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O6.C7H14O2/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15;1-2-3-6-9-7-4-5-8/h3,14-15H,1,4-13H2,2H3;2,8H,1,3-7H2
InChIKeyWWHSTEIERJQMTN-UHFFFAOYSA-N
MW434.57 g/mol
LogP2.35
Rot. Bonds22

About 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (PubChem CID 165092022) has the molecular formula C22H42O8 and a molecular weight of 434.57 g/mol. Its IUPAC name is 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
PubChem CID165092022
Molecular FormulaC22H42O8
Molecular Weight434.57 g/mol
Exact Mass434.29
IUPAC Name3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCCO.C=CCCOCCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O6.C7H14O2/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15;1-2-3-6-9-7-4-5-8/h3,14-15H,1,4-13H2,2H3;2,8H,1,3-7H2
InChIKeyWWHSTEIERJQMTN-UHFFFAOYSA-N
XLogP2.35
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-(methoxymethoxy)-3-(oxiran-2-ylmethoxy)propoxy]pentoxy]oxane
CID 166567769
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
3-[2-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropoxy]propan-1-amine
CID 163490070
2-[[2-(methoxymethoxy)-3-(2-thiophen-3-ylethoxy)propoxy]methyl]oxirane
CID 146517215
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The IUPAC name of 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (CID 165092022) is 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is C=CCCOCCCO.C=CCCOCCCOCC(COCC1CO1)OCOC.
What is the InChIKey of 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The InChIKey is WWHSTEIERJQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6.C7H14O2/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15;1-2-3-6-9-7-4-5-8/h3,14-15H,1,4-13H2,2H3;2,8H,1,3-7H2.
What are the key properties of 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane has a molecular weight of 434.57 g/mol, XLogP of 2.35, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxypropan-1-ol;2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 165092022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).