(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate

C14H18O4 — CID 139882518

IUPAC(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2=O
InChIInChI=1S/C14H18O4/c1-8(2)12(16)18-14-5-9-3-10(11(14)15)6-13(17,4-9)7-14/h9-10,17H,1,3-7H2,2H3
InChIKeyVADASNFTCONHFJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.37
Rot. Bonds2

About (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate

(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate (PubChem CID 139882518) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate
PubChem CID139882518
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2=O
InChIInChI=1S/C14H18O4/c1-8(2)12(16)18-14-5-9-3-10(11(14)15)6-13(17,4-9)7-14/h9-10,17H,1,3-7H2,2H3
InChIKeyVADASNFTCONHFJ-UHFFFAOYSA-N
XLogP1.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-1-methacryloyloxyadamantane
CID 11856523
Tert-butyl 3-(2-fluoroprop-2-enoyloxy)-5-hydroxyadamantane-1-carboxylate
CID 140015963
3,5-Dihydroxy-1-adamantyl methacrylate
CID 13007394
(3-Hydroxy-5-methoxy-1-adamantyl) 2-methylprop-2-enoate
CID 16124165
(3-Ethoxy-5-hydroxy-1-adamantyl) 2-methylprop-2-enoate
CID 16124168
Tert-butyl 3-hydroxy-5-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 21954461
(3-Hydroxy-4-oxo-1-adamantyl) 2-methylprop-2-enoate
CID 21954462
1-Carboxy-3-methacryloyloxyadamantane
CID 21954476
3-Hydroxy-5-(2-methylprop-2-enoyloxy)adamantane-1-carboxylic acid
CID 21954495
(3-Hydroxy-6-oxo-1-adamantyl) 2-methylprop-2-enoate
CID 21954497
3,5-Bis(2-methylprop-2-enoyloxy)adamantane-1-carboxylic acid
CID 21996784
1-Acetyl-3-hydroxy-5-acryloyloxyadamantane
CID 21996787

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate?
The IUPAC name of (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate (CID 139882518) is (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate.
What is the SMILES notation for (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate?
The canonical SMILES for (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2=O.
What is the InChIKey of (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate?
The InChIKey is VADASNFTCONHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8(2)12(16)18-14-5-9-3-10(11(14)15)6-13(17,4-9)7-14/h9-10,17H,1,3-7H2,2H3.
What are the key properties of (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate?
(5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-oxo-1-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).