[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate

C18H24O4 — CID 68570388

IUPAC[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
SMILESC=CCC1(OC(=O)COC(=O)C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24O4/c1-3-5-18(22-17(20)11-21-16(19)4-2)14-7-12-6-13(9-14)10-15(18)8-12/h3-4,12-15H,1-2,5-11H2
InChIKeyPBKTWSJLJPSJQB-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.03
Rot. Bonds6

About [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate

[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate (PubChem CID 68570388) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
PubChem CID68570388
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate
SMILESC=CCC1(OC(=O)COC(=O)C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24O4/c1-3-5-18(22-17(20)11-21-16(19)4-2)14-7-12-6-13(9-14)10-15(18)8-12/h3-4,12-15H,1-2,5-11H2
InChIKeyPBKTWSJLJPSJQB-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate?
The IUPAC name of [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate (CID 68570388) is [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate?
The canonical SMILES for [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate is C=CCC1(OC(=O)COC(=O)C=C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate?
The InChIKey is PBKTWSJLJPSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-3-5-18(22-17(20)11-21-16(19)4-2)14-7-12-6-13(9-14)10-15(18)8-12/h3-4,12-15H,1-2,5-11H2.
What are the key properties of [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate?
[2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate has a molecular weight of 304.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-prop-2-enyl-2-adamantyl)oxy]ethyl] prop-2-enoate is sourced from PubChem (CID 68570388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).