oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate

C19H26O5 — CID 139888995

IUPACoxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
SMILESC=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1CCCO1)(C3)C2
InChIInChI=1S/C19H26O5/c1-12(2)16(20)24-19-9-13-6-14(10-19)8-18(7-13,11-19)17(21)23-15-4-3-5-22-15/h13-15H,1,3-11H2,2H3
InChIKeyYQOWEIFVFLJGST-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.12
Rot. Bonds4

About oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate

oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate (PubChem CID 139888995) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
PubChem CID139888995
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Nameoxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
SMILESC=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1CCCO1)(C3)C2
InChIInChI=1S/C19H26O5/c1-12(2)16(20)24-19-9-13-6-14(10-19)8-18(7-13,11-19)17(21)23-15-4-3-5-22-15/h13-15H,1,3-11H2,2H3
InChIKeyYQOWEIFVFLJGST-UHFFFAOYSA-N
XLogP3.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl 2-methylprop-2-enoate;oxan-2-yl 2-hydroxyprop-2-enoate
CID 67611602
(6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 118261926
oxan-2-yl adamantane-1-carboxylate
CID 22723774
2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonic acid
CID 88912289
2,2,3,3,4,4,5,5,5-nonafluoropentyl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 137432134
(3-bromo-1-adamantyl) 2-methylprop-2-enoate
CID 70404847
[3-(2,2-dimethylpropoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 89381941
3-[3-(2-methylprop-2-enoyloxy)-1-adamantyl]adamantane-1-carboxylic acid
CID 58493891
[3-(2,2,2-trifluoroacetyl)oxy-1-adamantyl] 2-methylprop-2-enoate
CID 58079089
(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 59711495
[3-(2,2,3,3,3-pentafluoropropanoyloxy)-1-adamantyl] 2-methylprop-2-enoate
CID 88930406
[3-(2-hydroxypropan-2-yl)phenyl] 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 176725515

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate?
The IUPAC name of oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate (CID 139888995) is oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate.
What is the SMILES notation for oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate?
The canonical SMILES for oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate is C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1CCCO1)(C3)C2.
What is the InChIKey of oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate?
The InChIKey is YQOWEIFVFLJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-12(2)16(20)24-19-9-13-6-14(10-19)8-18(7-13,11-19)17(21)23-15-4-3-5-22-15/h13-15H,1,3-11H2,2H3.
What are the key properties of oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate?
oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate has a molecular weight of 334.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate is sourced from PubChem (CID 139888995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).