(4-methoxycyclohexyl)oxymethyl prop-2-enoate

C11H18O4 — CID 146620066

IUPAC(4-methoxycyclohexyl)oxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC1CCC(OC)CC1
InChIInChI=1S/C11H18O4/c1-3-11(12)15-8-14-10-6-4-9(13-2)5-7-10/h3,9-10H,1,4-8H2,2H3
InChIKeyMUUFHWSAFZNIOR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About (4-methoxycyclohexyl)oxymethyl prop-2-enoate

(4-methoxycyclohexyl)oxymethyl prop-2-enoate (PubChem CID 146620066) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4-methoxycyclohexyl)oxymethyl prop-2-enoate.

Molecular Properties

Compound Name(4-methoxycyclohexyl)oxymethyl prop-2-enoate
PubChem CID146620066
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(4-methoxycyclohexyl)oxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC1CCC(OC)CC1
InChIInChI=1S/C11H18O4/c1-3-11(12)15-8-14-10-6-4-9(13-2)5-7-10/h3,9-10H,1,4-8H2,2H3
InChIKeyMUUFHWSAFZNIOR-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(3,4,5-trifluorophenyl)cyclohexyl]oxymethyl prop-2-enoate
CID 58309152
[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate
CID 89116660
2-adamantyloxymethyl prop-2-enoate
CID 59008639
4-(4-methoxycyclohexyl)oxybutanamide
CID 169159127
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(2-prop-2-enoyloxyacetyl)oxycyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexyl]oxycarbonylcyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxycarbonyloxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid;4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxycyclohexane-1-carboxylic acid
CID 158563920
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
CID 159294157
CID 159294157

Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl)oxymethyl prop-2-enoate?
The IUPAC name of (4-methoxycyclohexyl)oxymethyl prop-2-enoate (CID 146620066) is (4-methoxycyclohexyl)oxymethyl prop-2-enoate.
What is the SMILES notation for (4-methoxycyclohexyl)oxymethyl prop-2-enoate?
The canonical SMILES for (4-methoxycyclohexyl)oxymethyl prop-2-enoate is C=CC(=O)OCOC1CCC(OC)CC1.
What is the InChIKey of (4-methoxycyclohexyl)oxymethyl prop-2-enoate?
The InChIKey is MUUFHWSAFZNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-11(12)15-8-14-10-6-4-9(13-2)5-7-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of (4-methoxycyclohexyl)oxymethyl prop-2-enoate?
(4-methoxycyclohexyl)oxymethyl prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)oxymethyl prop-2-enoate is sourced from PubChem (CID 146620066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).