cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C14H22O4 — CID 66721828

IUPACcyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H,5,6)
InChIKeyQKEIHNZGXPRKJV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.09
Rot. Bonds3

About cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 66721828) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID66721828
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H,5,6)
InChIKeyQKEIHNZGXPRKJV-UHFFFAOYSA-N
XLogP3.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;2-methylprop-2-enoic acid?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 66721828) is cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is QKEIHNZGXPRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C4H6O2/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 66721828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).