(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate

C16H24O3 — CID 150340384

IUPAC(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1O)C2
InChIInChI=1S/C16H24O3/c1-10(2)12(17)19-16-7-11-5-14(3,9-16)8-15(4,6-11)13(16)18/h11,13,18H,1,5-9H2,2-4H3
InChIKeyGROWRNZBXJAXDU-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.83
Rot. Bonds2

About (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate

(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate (PubChem CID 150340384) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate
PubChem CID150340384
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1O)C2
InChIInChI=1S/C16H24O3/c1-10(2)12(17)19-16-7-11-5-14(3,9-16)8-15(4,6-11)13(16)18/h11,13,18H,1,5-9H2,2-4H3
InChIKeyGROWRNZBXJAXDU-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate
CID 160606904
(3-cyano-5-methyl-1-adamantyl) 2-methylprop-2-enoate
CID 66766721
[(3R,5S)-3,5-dihydroxy-1-adamantyl] 2-methylprop-2-enoate
CID 23583089
(2-amino-5,7-dimethyl-1-adamantyl) acetate
CID 139966238
(2-cyclohexyl-1-adamantyl) 2-methylprop-2-enoate
CID 156808490
(3-bromo-1-adamantyl) 2-methylprop-2-enoate
CID 70404847
(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate
CID 161336418
[2-[(3,5-dimethyladamantane-1-carbonyl)oxymethyl]-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 3,5-dimethyladamantane-1-carboxylate
CID 18757357
(1,7-dihydroxy-3-tricyclo[3.3.1.03,7]nonanyl) 2-methylprop-2-enoate
CID 154557450
(1-cyclopropyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533336
(3-cyano-5-methyl-1-adamantyl)methyl 2-methylprop-2-enoate
CID 66766619
(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate (CID 150340384) is (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1O)C2.
What is the InChIKey of (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate?
The InChIKey is GROWRNZBXJAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)12(17)19-16-7-11-5-14(3,9-16)8-15(4,6-11)13(16)18/h11,13,18H,1,5-9H2,2-4H3.
What are the key properties of (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate?
(2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate has a molecular weight of 264.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 150340384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).