cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate

C14H20O2 — CID 17465

IUPACcyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CC=CCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChIKeyFJPFRSQDAFMEKD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds3

About cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate

cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate (PubChem CID 17465) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
PubChem CID17465
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namecyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CC=CCC1
InChIInChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChIKeyFJPFRSQDAFMEKD-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
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 cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate?
The IUPAC name of cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate (CID 17465) is cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate is O=C(OCC1CC=CCC1)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate?
The InChIKey is FJPFRSQDAFMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2.
What are the key properties of cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate?
cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 17465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).