(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate

C13H18O4 — CID 141327938

IUPAC(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1=COC(C2CCCCC2)O1
InChIInChI=1S/C13H18O4/c1-2-12(14)15-8-11-9-16-13(17-11)10-6-4-3-5-7-10/h2,9-10,13H,1,3-8H2
InChIKeyWYPQDNCQZDNDKT-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.51
Rot. Bonds4

About (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate

(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate (PubChem CID 141327938) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate
PubChem CID141327938
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1=COC(C2CCCCC2)O1
InChIInChI=1S/C13H18O4/c1-2-12(14)15-8-11-9-16-13(17-11)10-6-4-3-5-7-10/h2,9-10,13H,1,3-8H2
InChIKeyWYPQDNCQZDNDKT-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.51
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 (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate?
The IUPAC name of (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate (CID 141327938) is (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate?
The canonical SMILES for (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1=COC(C2CCCCC2)O1.
What is the InChIKey of (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate?
The InChIKey is WYPQDNCQZDNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-12(14)15-8-11-9-16-13(17-11)10-6-4-3-5-7-10/h2,9-10,13H,1,3-8H2.
What are the key properties of (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate?
(2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate has a molecular weight of 238.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1,3-dioxol-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 141327938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).