pent-1-en-3-yl cyclohex-3-ene-1-carboxylate

C12H18O2 — CID 68786203

IUPACpent-1-en-3-yl cyclohex-3-ene-1-carboxylate
SMILESC=CC(CC)OC(=O)C1CC=CCC1
InChIInChI=1S/C12H18O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h3,5-6,10-11H,1,4,7-9H2,2H3
InChIKeyRPNAOFPVLOAQCF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds4

About pent-1-en-3-yl cyclohex-3-ene-1-carboxylate

pent-1-en-3-yl cyclohex-3-ene-1-carboxylate (PubChem CID 68786203) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is pent-1-en-3-yl cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namepent-1-en-3-yl cyclohex-3-ene-1-carboxylate
PubChem CID68786203
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namepent-1-en-3-yl cyclohex-3-ene-1-carboxylate
SMILESC=CC(CC)OC(=O)C1CC=CCC1
InChIInChI=1S/C12H18O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h3,5-6,10-11H,1,4,7-9H2,2H3
InChIKeyRPNAOFPVLOAQCF-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yl cyclohex-3-ene-1-carboxylate?
The IUPAC name of pent-1-en-3-yl cyclohex-3-ene-1-carboxylate (CID 68786203) is pent-1-en-3-yl cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for pent-1-en-3-yl cyclohex-3-ene-1-carboxylate?
The canonical SMILES for pent-1-en-3-yl cyclohex-3-ene-1-carboxylate is C=CC(CC)OC(=O)C1CC=CCC1.
What is the InChIKey of pent-1-en-3-yl cyclohex-3-ene-1-carboxylate?
The InChIKey is RPNAOFPVLOAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h3,5-6,10-11H,1,4,7-9H2,2H3.
What are the key properties of pent-1-en-3-yl cyclohex-3-ene-1-carboxylate?
pent-1-en-3-yl cyclohex-3-ene-1-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yl cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 68786203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).