[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate

C17H22O4 — CID 22992618

IUPAC[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C12CCC(C1)C1CCCC12
InChIInChI=1S/C17H22O4/c1-3-14(18)20-16(21-15(19)4-2)17-9-8-11(10-17)12-6-5-7-13(12)17/h3-4,11-13,16H,1-2,5-10H2
InChIKeyHCGAAWGYMYIRPL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.99
Rot. Bonds5

About [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate

[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate (PubChem CID 22992618) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate.

Molecular Properties

Compound Name[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
PubChem CID22992618
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)C12CCC(C1)C1CCCC12
InChIInChI=1S/C17H22O4/c1-3-14(18)20-16(21-15(19)4-2)17-9-8-11(10-17)12-6-5-7-13(12)17/h3-4,11-13,16H,1-2,5-10H2
InChIKeyHCGAAWGYMYIRPL-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate?
The IUPAC name of [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate (CID 22992618) is [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate.
What is the SMILES notation for [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate?
The canonical SMILES for [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate is C=CC(=O)OC(OC(=O)C=C)C12CCC(C1)C1CCCC12.
What is the InChIKey of [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate?
The InChIKey is HCGAAWGYMYIRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-3-14(18)20-16(21-15(19)4-2)17-9-8-11(10-17)12-6-5-7-13(12)17/h3-4,11-13,16H,1-2,5-10H2.
What are the key properties of [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate?
[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate is sourced from PubChem (CID 22992618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).