oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate

C19H26O7 — CID 173416094

IUPACoxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate
SMILESO=C(OCC1CO1)C(=CCC1CO1)C(CC1CO1)(CC1CO1)CC1CO1
InChIInChI=1S/C19H26O7/c20-18(26-11-16-10-25-16)17(2-1-12-6-21-12)19(3-13-7-22-13,4-14-8-23-14)5-15-9-24-15/h2,12-16H,1,3-11H2
InChIKeyBBKXPXXVXVWGBT-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.00
Rot. Bonds12

About oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate

oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate (PubChem CID 173416094) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate
PubChem CID173416094
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Nameoxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate
SMILESO=C(OCC1CO1)C(=CCC1CO1)C(CC1CO1)(CC1CO1)CC1CO1
InChIInChI=1S/C19H26O7/c20-18(26-11-16-10-25-16)17(2-1-12-6-21-12)19(3-13-7-22-13,4-14-8-23-14)5-15-9-24-15/h2,12-16H,1,3-11H2
InChIKeyBBKXPXXVXVWGBT-UHFFFAOYSA-N
XLogP1.00
TPSA88.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
ethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175401857
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
(E)-3-methyl-4-(oxiran-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 22806703
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
methyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175573583
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate?
The IUPAC name of oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate (CID 173416094) is oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate is O=C(OCC1CO1)C(=CCC1CO1)C(CC1CO1)(CC1CO1)CC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate?
The InChIKey is BBKXPXXVXVWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O7/c20-18(26-11-16-10-25-16)17(2-1-12-6-21-12)19(3-13-7-22-13,4-14-8-23-14)5-15-9-24-15/h2,12-16H,1,3-11H2.
What are the key properties of oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate?
oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate has a molecular weight of 366.41 g/mol, XLogP of 1.00, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-4-(oxiran-2-yl)but-2-enoate is sourced from PubChem (CID 173416094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).