[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate

C17H28O3 — CID 118200324

IUPAC[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O3/c1-13(2)16(18)20-17(14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h14-15,17H,1,3-12H2,2H3
InChIKeyQOKXPZDFWHIUEB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.36
Rot. Bonds5

About [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate

[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate (PubChem CID 118200324) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
PubChem CID118200324
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O3/c1-13(2)16(18)20-17(14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h14-15,17H,1,3-12H2,2H3
InChIKeyQOKXPZDFWHIUEB-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate?
The IUPAC name of [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate (CID 118200324) is [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC1CCCCC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate?
The InChIKey is QOKXPZDFWHIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-13(2)16(18)20-17(14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h14-15,17H,1,3-12H2,2H3.
What are the key properties of [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate?
[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate has a molecular weight of 280.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118200324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).