2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate

C12H20O4 — CID 21339886

IUPAC2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCCC1O
InChIInChI=1S/C12H20O4/c1-9(2)12(14)16-8-7-15-11-6-4-3-5-10(11)13/h10-11,13H,1,3-8H2,2H3
InChIKeyCKJJQJJPYPBRMO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds5

About 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate

2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate (PubChem CID 21339886) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate
PubChem CID21339886
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCCC1O
InChIInChI=1S/C12H20O4/c1-9(2)12(14)16-8-7-15-11-6-4-3-5-10(11)13/h10-11,13H,1,3-8H2,2H3
InChIKeyCKJJQJJPYPBRMO-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate (CID 21339886) is 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is CKJJQJJPYPBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-9(2)12(14)16-8-7-15-11-6-4-3-5-10(11)13/h10-11,13H,1,3-8H2,2H3.
What are the key properties of 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate?
2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21339886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).