cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

C18H28O5 — CID 89211192

IUPACcyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OC1CCC(C(=O)OCOC2CCCCC2)CC1
InChIInChI=1S/C18H28O5/c1-13(2)17(19)23-16-10-8-14(9-11-16)18(20)22-12-21-15-6-4-3-5-7-15/h14-16H,1,3-12H2,2H3
InChIKeyHCDQPWSHCXDUKX-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.51
Rot. Bonds6

About cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate (PubChem CID 89211192) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
PubChem CID89211192
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Namecyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OC1CCC(C(=O)OCOC2CCCCC2)CC1
InChIInChI=1S/C18H28O5/c1-13(2)17(19)23-16-10-8-14(9-11-16)18(20)22-12-21-15-6-4-3-5-7-15/h14-16H,1,3-12H2,2H3
InChIKeyHCDQPWSHCXDUKX-UHFFFAOYSA-N
XLogP3.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The IUPAC name of cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate (CID 89211192) is cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate is C=C(C)C(=O)OC1CCC(C(=O)OCOC2CCCCC2)CC1.
What is the InChIKey of cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
The InChIKey is HCDQPWSHCXDUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-13(2)17(19)23-16-10-8-14(9-11-16)18(20)22-12-21-15-6-4-3-5-7-15/h14-16H,1,3-12H2,2H3.
What are the key properties of cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate?
cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxymethyl 4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 89211192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).