cyclohexylmethoxymethyl prop-2-enoate

C11H18O3 — CID 89397938

IUPACcyclohexylmethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC1CCCCC1
InChIInChI=1S/C11H18O3/c1-2-11(12)14-9-13-8-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKeyIJPUPVSVNIFPQT-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.27
Rot. Bonds5

About cyclohexylmethoxymethyl prop-2-enoate

cyclohexylmethoxymethyl prop-2-enoate (PubChem CID 89397938) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cyclohexylmethoxymethyl prop-2-enoate.

Molecular Properties

Compound Namecyclohexylmethoxymethyl prop-2-enoate
PubChem CID89397938
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecyclohexylmethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC1CCCCC1
InChIInChI=1S/C11H18O3/c1-2-11(12)14-9-13-8-10-6-4-3-5-7-10/h2,10H,1,3-9H2
InChIKeyIJPUPVSVNIFPQT-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 cyclohexylmethoxymethyl prop-2-enoate?
The IUPAC name of cyclohexylmethoxymethyl prop-2-enoate (CID 89397938) is cyclohexylmethoxymethyl prop-2-enoate.
What is the SMILES notation for cyclohexylmethoxymethyl prop-2-enoate?
The canonical SMILES for cyclohexylmethoxymethyl prop-2-enoate is C=CC(=O)OCOCC1CCCCC1.
What is the InChIKey of cyclohexylmethoxymethyl prop-2-enoate?
The InChIKey is IJPUPVSVNIFPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-11(12)14-9-13-8-10-6-4-3-5-7-10/h2,10H,1,3-9H2.
What are the key properties of cyclohexylmethoxymethyl prop-2-enoate?
cyclohexylmethoxymethyl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethoxymethyl prop-2-enoate is sourced from PubChem (CID 89397938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).