cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

C16H26O5 — CID 69069752

IUPACcyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCO
InChIInChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-5(2)6(8)9-4-3-7/h9H,1,3-7H2,2H3;7H,1,3-4H2,2H3
InChIKeyUJOFRBSXVZWWBW-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.54
Rot. Bonds5

About cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate

cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 69069752) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID69069752
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCO
InChIInChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-5(2)6(8)9-4-3-7/h9H,1,3-7H2,2H3;7H,1,3-4H2,2H3
InChIKeyUJOFRBSXVZWWBW-UHFFFAOYSA-N
XLogP2.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 69069752) is cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCCO.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is UJOFRBSXVZWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C6H10O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-5(2)6(8)9-4-3-7/h9H,1,3-7H2,2H3;7H,1,3-4H2,2H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate?
cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 298.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 69069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).