ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)

C20H40O5 — CID 173030236

IUPACethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
SMILESC(OCC1CO1)C1CO1.C=CC.C=CC.C=CC.C=CC.OCCO
InChIInChI=1S/C6H10O3.4C3H6.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;4*1-3-2;3-1-2-4/h5-6H,1-4H2;4*3H,1H2,2H3;3-4H,1-2H2
InChIKeyNVRCUJGGIORQAK-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.54
Rot. Bonds5

About ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)

ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene) (PubChem CID 173030236) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
PubChem CID173030236
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Nameethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
SMILESC(OCC1CO1)C1CO1.C=CC.C=CC.C=CC.C=CC.OCCO
InChIInChI=1S/C6H10O3.4C3H6.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;4*1-3-2;3-1-2-4/h5-6H,1-4H2;4*3H,1H2,2H3;3-4H,1-2H2
InChIKeyNVRCUJGGIORQAK-UHFFFAOYSA-N
XLogP3.54
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene) (CID 173030236) is ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene) is C(OCC1CO1)C1CO1.C=CC.C=CC.C=CC.C=CC.OCCO.
What is the InChIKey of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)?
The InChIKey is NVRCUJGGIORQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.4C3H6.C2H6O2/c1(5-3-8-5)7-2-6-4-9-6;4*1-3-2;3-1-2-4/h5-6H,1-4H2;4*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)?
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene) has a molecular weight of 360.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene) is sourced from PubChem (CID 173030236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).