cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

C15H24O4 — CID 19098032

IUPACcyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C5H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)5(6)7-3/h9H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyDJTHARKDQLFDST-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds3

About cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 19098032) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID19098032
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namecyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C5H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)5(6)7-3/h9H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyDJTHARKDQLFDST-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 19098032) is cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is DJTHARKDQLFDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C5H8O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)5(6)7-3/h9H,1,3-7H2,2H3;1H2,2-3H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 19098032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).