(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate

C12H20O3 — CID 130305226

IUPAC(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(O)(CC)CC1
InChIInChI=1S/C12H20O3/c1-4-12(14)7-5-10(6-8-12)15-11(13)9(2)3/h10,14H,2,4-8H2,1,3H3
InChIKeyHREGMTQXOZHPMT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds3

About (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate

(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate (PubChem CID 130305226) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
PubChem CID130305226
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(O)(CC)CC1
InChIInChI=1S/C12H20O3/c1-4-12(14)7-5-10(6-8-12)15-11(13)9(2)3/h10,14H,2,4-8H2,1,3H3
InChIKeyHREGMTQXOZHPMT-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.19
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

(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate
CID 129118646
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
[4-ethyl-4-(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl)oxycycloheptyl] 2-methylprop-2-enoate
CID 129118673
N-(4-ethyl-4-hydroxycyclohexyl)acetamide
CID 131153835
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate (CID 130305226) is (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(O)(CC)CC1.
What is the InChIKey of (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate?
The InChIKey is HREGMTQXOZHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-12(14)7-5-10(6-8-12)15-11(13)9(2)3/h10,14H,2,4-8H2,1,3H3.
What are the key properties of (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate?
(4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-hydroxycyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 130305226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).