2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid

C18H30O8 — CID 87433699

IUPAC2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
SMILESC=CC(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C3H4O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5)
InChIKeyMUJNEBTXNBTMRK-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.89
Rot. Bonds14

About 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid

2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid (PubChem CID 87433699) has the molecular formula C18H30O8 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid.

Molecular Properties

Compound Name2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
PubChem CID87433699
Molecular FormulaC18H30O8
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
SMILESC=CC(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C3H4O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5)
InChIKeyMUJNEBTXNBTMRK-UHFFFAOYSA-N
XLogP0.89
TPSA102.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid 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-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
CID 22131922
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569
2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
CID 161499535
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
CID 87308425
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enoic acid
CID 175055278
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid?
The IUPAC name of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid (CID 87433699) is 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid.
What is the SMILES notation for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid?
The canonical SMILES for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid is C=CC(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid?
The InChIKey is MUJNEBTXNBTMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6.C3H4O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-2-3(4)5/h12-14H,2-11H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid?
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid has a molecular weight of 374.43 g/mol, XLogP of 0.89, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid is sourced from PubChem (CID 87433699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).