methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate

C11H18O3 — CID 174624623

IUPACmethyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(O)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyGJWUQRXZRIOTSK-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.57
Rot. Bonds2

About methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate

methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate (PubChem CID 174624623) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
PubChem CID174624623
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(O)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyGJWUQRXZRIOTSK-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate?
The IUPAC name of methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate (CID 174624623) is methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate is COC(=O)C(C)=C(O)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate?
The InChIKey is GJWUQRXZRIOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate?
methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate is sourced from PubChem (CID 174624623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).