2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate

C19H26O6 — CID 58231906

IUPAC2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate
SMILESC=CCCCCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C19H26O6/c1-5-9-10-11-12-19(13-23-16(20)6-2,14-24-17(21)7-3)15-25-18(22)8-4/h5-8H,1-4,9-15H2
InChIKeyVIRUKBGUIORWAW-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.91
Rot. Bonds14

About 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate

2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate (PubChem CID 58231906) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate.

Molecular Properties

Compound Name2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate
PubChem CID58231906
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate
SMILESC=CCCCCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C19H26O6/c1-5-9-10-11-12-19(13-23-16(20)6-2,14-24-17(21)7-3)15-25-18(22)8-4/h5-8H,1-4,9-15H2
InChIKeyVIRUKBGUIORWAW-UHFFFAOYSA-N
XLogP2.91
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate?
The IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate (CID 58231906) is 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate.
What is the SMILES notation for 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate?
The canonical SMILES for 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate is C=CCCCCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate?
The InChIKey is VIRUKBGUIORWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O6/c1-5-9-10-11-12-19(13-23-16(20)6-2,14-24-17(21)7-3)15-25-18(22)8-4/h5-8H,1-4,9-15H2.
What are the key properties of 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate?
2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 2.91, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoyloxymethyl)oct-7-enyl prop-2-enoate is sourced from PubChem (CID 58231906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).