2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate

C14H20O2 — CID 102248268

IUPAC2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C14H20O2/c1-4-14(15)16-10-9-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3
InChIKeyUVTBQWHTHYJHCA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate

2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate (PubChem CID 102248268) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
PubChem CID102248268
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C14H20O2/c1-4-14(15)16-10-9-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3
InChIKeyUVTBQWHTHYJHCA-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895172
2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
CID 141352252
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl nitrite
CID 162522511
(4-prop-1-en-2-ylcyclohexen-1-yl)methanesulfonic acid
CID 118596934
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-methylbenzoate
CID 101152307
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4-chlorobenzoate
CID 58512647
5-hydroxy-4-propoxycarbonylpenta-2,4-dienoic acid;methyl prop-2-enoate;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 87461835
2-methyl-1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]but-3-en-1-one
CID 70617790
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 4-carbamoyl-1-methylpyrrole-2-carboxylate
CID 102559492
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine-1,4-diium
CID 6942999
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] prop-2-enoate
CID 118478416
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782854

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate (CID 102248268) is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1=CCC(C(=C)C)CC1.
What is the InChIKey of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate?
The InChIKey is UVTBQWHTHYJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-14(15)16-10-9-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3.
What are the key properties of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate?
2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 102248268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).