methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate

C13H20O3 — CID 166072623

IUPACmethyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate
SMILESC=C(C)C1CCC(O)C(C(=C)C(=O)OC)C1
InChIInChI=1S/C13H20O3/c1-8(2)10-5-6-12(14)11(7-10)9(3)13(15)16-4/h10-12,14H,1,3,5-7H2,2,4H3
InChIKeyFLYZJYLVJLKZIL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate

methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate (PubChem CID 166072623) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate
PubChem CID166072623
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate
SMILESC=C(C)C1CCC(O)C(C(=C)C(=O)OC)C1
InChIInChI=1S/C13H20O3/c1-8(2)10-5-6-12(14)11(7-10)9(3)13(15)16-4/h10-12,14H,1,3,5-7H2,2,4H3
InChIKeyFLYZJYLVJLKZIL-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-tert-butyl-2-hydroxycyclohexyl)prop-2-enoate
CID 174469103
1-(2-hydroxy-4-prop-1-en-2-ylcyclohexyl)ethyl 2-methylprop-2-enoate
CID 123181333
methyl 2-[3-(2-methoxy-2-oxoethyl)cyclopentyl]prop-2-enoate
CID 90054018
methyl 2-(oxan-3-yl)prop-2-enoate
CID 117266894
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901
CID 10929857
CID 10929857
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;methyl 2-methylprop-2-enoate
CID 146313796
4-methoxycarbonylcyclohexane-1,2-dicarboxylic acid
CID 23443945
[4-[4-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexyl]phenyl] 2-methylprop-2-enoate
CID 174634328

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate?
The IUPAC name of methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate (CID 166072623) is methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate?
The canonical SMILES for methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate is C=C(C)C1CCC(O)C(C(=C)C(=O)OC)C1.
What is the InChIKey of methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate?
The InChIKey is FLYZJYLVJLKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(2)10-5-6-12(14)11(7-10)9(3)13(15)16-4/h10-12,14H,1,3,5-7H2,2,4H3.
What are the key properties of methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate?
methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate has a molecular weight of 224.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-5-prop-1-en-2-ylcyclohexyl)prop-2-enoate is sourced from PubChem (CID 166072623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).