[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate

C22H32O4 — CID 155152412

IUPAC[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC(=O)OCC23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C22H32O4/c1-15(2)20(24)26-22(5-3-4-6-22)13-19(23)25-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,1,3-14H2,2H3
InChIKeyPQOFHMGVELOGQU-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.57
Rot. Bonds6

About [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate

[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate (PubChem CID 155152412) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate
PubChem CID155152412
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC(=O)OCC23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C22H32O4/c1-15(2)20(24)26-22(5-3-4-6-22)13-19(23)25-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,1,3-14H2,2H3
InChIKeyPQOFHMGVELOGQU-UHFFFAOYSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(1-adamantylmethoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58106029
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
[1-(3,3,4,4,4-pentafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 90250893
4-O-(1-adamantyl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 90440465
[1-(2,2,3,3,4,4,4-heptafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 130411163
1-adamantylmethyl ethenyl carbonate
CID 70305959
1-adamantylmethyl 2-(2-chloroacetyl)oxyacetate
CID 58106016
[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
CID 151672583
[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] 2-methylprop-2-enoate
CID 58999843
1-adamantylmethyl 2-cyclohexyloxyacetate
CID 159978550
1-adamantylmethyl 2-bromo-2-methylpropanoate
CID 102412153
[4-(1-adamantyl)-2-methylbutan-2-yl] 2-methylprop-2-enoate
CID 139934567

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate (CID 155152412) is [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC(=O)OCC23CC4CC(CC(C4)C2)C3)CCCC1.
What is the InChIKey of [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is PQOFHMGVELOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-15(2)20(24)26-22(5-3-4-6-22)13-19(23)25-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,1,3-14H2,2H3.
What are the key properties of [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate?
[1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 360.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-adamantylmethoxy)-2-oxoethyl]cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155152412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).