[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate

C19H26O4 — CID 59539851

IUPAC[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(OC(=O)C(=C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26O4/c1-11(2)17(20)22-10-19(23-18(21)12(3)4)15-6-13-5-14(8-15)9-16(19)7-13/h13-16H,1,3,5-10H2,2,4H3
InChIKeyFPUHYYGIXNWJIG-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.42
Rot. Bonds5

About [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate (PubChem CID 59539851) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate
PubChem CID59539851
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(OC(=O)C(=C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26O4/c1-11(2)17(20)22-10-19(23-18(21)12(3)4)15-6-13-5-14(8-15)9-16(19)7-13/h13-16H,1,3,5-10H2,2,4H3
InChIKeyFPUHYYGIXNWJIG-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate (CID 59539851) is [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(OC(=O)C(=C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate?
The InChIKey is FPUHYYGIXNWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-11(2)17(20)22-10-19(23-18(21)12(3)4)15-6-13-5-14(8-15)9-16(19)7-13/h13-16H,1,3,5-10H2,2,4H3.
What are the key properties of [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate has a molecular weight of 318.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)-2-adamantyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59539851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).