cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate

C17H20O2 — CID 20519518

IUPACcyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate
SMILESO=C(OCC1C=CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(19-12-13-7-3-1-4-8-13)16-11-15(16)14-9-5-2-6-10-14/h2-3,5-7,9-10,13,15-16H,1,4,8,11-12H2
InChIKeyKDJCUKIFYOQSFB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.69
Rot. Bonds4

About cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate

cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate (PubChem CID 20519518) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate
PubChem CID20519518
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Namecyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate
SMILESO=C(OCC1C=CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(19-12-13-7-3-1-4-8-13)16-11-15(16)14-9-5-2-6-10-14/h2-3,5-7,9-10,13,15-16H,1,4,8,11-12H2
InChIKeyKDJCUKIFYOQSFB-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.69
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-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate (CID 20519518) is cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate is O=C(OCC1C=CCCC1)C1CC1c1ccccc1.
What is the InChIKey of cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate?
The InChIKey is KDJCUKIFYOQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(19-12-13-7-3-1-4-8-13)16-11-15(16)14-9-5-2-6-10-14/h2-3,5-7,9-10,13,15-16H,1,4,8,11-12H2.
What are the key properties of cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate?
cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 20519518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).