bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene

C22H34O6 — CID 157126575

IUPACbis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)OCCOC.C=CC(=O)OCCOC
InChIInChI=1S/C10H14.2C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-6(7)9-5-4-8-2/h1-2,7-10H,3-6H2;2*3H,1,4-5H2,2H3
InChIKeyAIONMSGDVQQKPJ-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.33
Rot. Bonds8

About bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene

bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 157126575) has the molecular formula C22H34O6 and a molecular weight of 394.51 g/mol. Its IUPAC name is bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Namebis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID157126575
Molecular FormulaC22H34O6
Molecular Weight394.51 g/mol
Exact Mass394.24
IUPAC Namebis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)OCCOC.C=CC(=O)OCCOC
InChIInChI=1S/C10H14.2C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-6(7)9-5-4-8-2/h1-2,7-10H,3-6H2;2*3H,1,4-5H2,2H3
InChIKeyAIONMSGDVQQKPJ-UHFFFAOYSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene (CID 157126575) is bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene is C1=CC2C3CCC(C3)C2C1.C=CC(=O)OCCOC.C=CC(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is AIONMSGDVQQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-6(7)9-5-4-8-2/h1-2,7-10H,3-6H2;2*3H,1,4-5H2,2H3.
What are the key properties of bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene?
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 394.51 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 157126575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).