2-methylpropyl 2-cyclohexylprop-2-enoate

C13H22O2 — CID 68742769

IUPAC2-methylpropyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(C)C)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyIDCJWMITZGCXPG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds4

About 2-methylpropyl 2-cyclohexylprop-2-enoate

2-methylpropyl 2-cyclohexylprop-2-enoate (PubChem CID 68742769) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methylpropyl 2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 2-cyclohexylprop-2-enoate
PubChem CID68742769
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methylpropyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(C)C)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyIDCJWMITZGCXPG-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-cyclohexylprop-2-enoate?
The IUPAC name of 2-methylpropyl 2-cyclohexylprop-2-enoate (CID 68742769) is 2-methylpropyl 2-cyclohexylprop-2-enoate.
What is the SMILES notation for 2-methylpropyl 2-cyclohexylprop-2-enoate?
The canonical SMILES for 2-methylpropyl 2-cyclohexylprop-2-enoate is C=C(C(=O)OCC(C)C)C1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-cyclohexylprop-2-enoate?
The InChIKey is IDCJWMITZGCXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)9-15-13(14)11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 2-cyclohexylprop-2-enoate?
2-methylpropyl 2-cyclohexylprop-2-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-cyclohexylprop-2-enoate is sourced from PubChem (CID 68742769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).