2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane

C18H30O5 — CID 175223439

IUPAC2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane
SMILESC=C(OC(=C)C(CCC)OCC1CO1)C(CCC)OCC1CO1
InChIInChI=1S/C18H30O5/c1-5-7-17(21-11-15-9-19-15)13(3)23-14(4)18(8-6-2)22-12-16-10-20-16/h15-18H,3-12H2,1-2H3
InChIKeyICIVYZNODINVMK-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.20
Rot. Bonds14

About 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane

2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane (PubChem CID 175223439) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane
PubChem CID175223439
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane
SMILESC=C(OC(=C)C(CCC)OCC1CO1)C(CCC)OCC1CO1
InChIInChI=1S/C18H30O5/c1-5-7-17(21-11-15-9-19-15)13(3)23-14(4)18(8-6-2)22-12-16-10-20-16/h15-18H,3-12H2,1-2H3
InChIKeyICIVYZNODINVMK-UHFFFAOYSA-N
XLogP3.20
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane with MolForge

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Related Compounds

2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662
2-(1-ethenoxybutoxymethyl)oxirane
CID 87772830
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(morpholin-2-ylmethoxy)pentanoic acid
CID 106940857
2-(propan-2-yloxymethyl)oxirane
CID 159998967
3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide
CID 174911277
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane?
The IUPAC name of 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane (CID 175223439) is 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane.
What is the SMILES notation for 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane?
The canonical SMILES for 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane is C=C(OC(=C)C(CCC)OCC1CO1)C(CCC)OCC1CO1.
What is the InChIKey of 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane?
The InChIKey is ICIVYZNODINVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-5-7-17(21-11-15-9-19-15)13(3)23-14(4)18(8-6-2)22-12-16-10-20-16/h15-18H,3-12H2,1-2H3.
What are the key properties of 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane?
2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane has a molecular weight of 326.43 g/mol, XLogP of 3.20, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane is sourced from PubChem (CID 175223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).