(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate

C14H20O4 — CID 142739871

IUPAC(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESC=C(OC(=O)/C(C)=C/C1CCCCC1)C(=O)OC
InChIInChI=1S/C14H20O4/c1-10(9-12-7-5-4-6-8-12)13(15)18-11(2)14(16)17-3/h9,12H,2,4-8H2,1,3H3/b10-9+
InChIKeyDOTBYOVBHGEMEC-MDZDMXLPSA-N
MW252.31 g/mol
LogP2.74
Rot. Bonds4

About (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate

(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate (PubChem CID 142739871) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate
PubChem CID142739871
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate
SMILESC=C(OC(=O)/C(C)=C/C1CCCCC1)C(=O)OC
InChIInChI=1S/C14H20O4/c1-10(9-12-7-5-4-6-8-12)13(15)18-11(2)14(16)17-3/h9,12H,2,4-8H2,1,3H3/b10-9+
InChIKeyDOTBYOVBHGEMEC-MDZDMXLPSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate?
The IUPAC name of (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate (CID 142739871) is (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate.
What is the SMILES notation for (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate?
The canonical SMILES for (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate is C=C(OC(=O)/C(C)=C/C1CCCCC1)C(=O)OC.
What is the InChIKey of (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate?
The InChIKey is DOTBYOVBHGEMEC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(9-12-7-5-4-6-8-12)13(15)18-11(2)14(16)17-3/h9,12H,2,4-8H2,1,3H3/b10-9+.
What are the key properties of (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate?
(3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-oxoprop-1-en-2-yl) (E)-3-cyclohexyl-2-methylprop-2-enoate is sourced from PubChem (CID 142739871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).