[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate

C14H18O4 — CID 12860206

IUPAC[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)CC=CCC1
InChIInChI=1S/C14H18O4/c1-3-12(15)17-10-14(8-6-5-7-9-14)11-18-13(16)4-2/h3-6H,1-2,7-11H2
InChIKeyHMKZCGHOLCQPSO-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.17
Rot. Bonds6

About [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate

[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate (PubChem CID 12860206) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate
PubChem CID12860206
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(COC(=O)C=C)CC=CCC1
InChIInChI=1S/C14H18O4/c1-3-12(15)17-10-14(8-6-5-7-9-14)11-18-13(16)4-2/h3-6H,1-2,7-11H2
InChIKeyHMKZCGHOLCQPSO-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate?
The IUPAC name of [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate (CID 12860206) is [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate.
What is the SMILES notation for [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate?
The canonical SMILES for [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate is C=CC(=O)OCC1(COC(=O)C=C)CC=CCC1.
What is the InChIKey of [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate?
The InChIKey is HMKZCGHOLCQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-12(15)17-10-14(8-6-5-7-9-14)11-18-13(16)4-2/h3-6H,1-2,7-11H2.
What are the key properties of [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate?
[1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(prop-2-enoyloxymethyl)cyclohex-3-en-1-yl]methyl prop-2-enoate is sourced from PubChem (CID 12860206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).