cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate

C15H24O5 — CID 23572126

IUPACcyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)OC(C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C15H24O5/c1-11(10-18-14(17)20-15(2,3)4)13(16)19-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyFWNIVRATQUFUIF-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.37
Rot. Bonds4

About cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate

cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate (PubChem CID 23572126) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
PubChem CID23572126
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namecyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
SMILESC=C(COC(=O)OC(C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C15H24O5/c1-11(10-18-14(17)20-15(2,3)4)13(16)19-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyFWNIVRATQUFUIF-UHFFFAOYSA-N
XLogP3.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
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-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The IUPAC name of cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate (CID 23572126) is cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The canonical SMILES for cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate is C=C(COC(=O)OC(C)(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
The InChIKey is FWNIVRATQUFUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-11(10-18-14(17)20-15(2,3)4)13(16)19-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3.
What are the key properties of cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate?
cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate is sourced from PubChem (CID 23572126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).