oct-3-en-2-yl phenyl carbonate

C15H20O3 — CID 150709874

IUPACoct-3-en-2-yl phenyl carbonate
SMILESCCCCC=CC(C)OC(=O)Oc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-4-5-7-10-13(2)17-15(16)18-14-11-8-6-9-12-14/h6-13H,3-5H2,1-2H3
InChIKeyJNQNOZWIIULEHP-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.34
Rot. Bonds6

About oct-3-en-2-yl phenyl carbonate

oct-3-en-2-yl phenyl carbonate (PubChem CID 150709874) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is oct-3-en-2-yl phenyl carbonate.

Molecular Properties

Compound Nameoct-3-en-2-yl phenyl carbonate
PubChem CID150709874
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameoct-3-en-2-yl phenyl carbonate
SMILESCCCCC=CC(C)OC(=O)Oc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-4-5-7-10-13(2)17-15(16)18-14-11-8-6-9-12-14/h6-13H,3-5H2,1-2H3
InChIKeyJNQNOZWIIULEHP-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oct-3-en-2-yl phenyl carbonate?
The IUPAC name of oct-3-en-2-yl phenyl carbonate (CID 150709874) is oct-3-en-2-yl phenyl carbonate.
What is the SMILES notation for oct-3-en-2-yl phenyl carbonate?
The canonical SMILES for oct-3-en-2-yl phenyl carbonate is CCCCC=CC(C)OC(=O)Oc1ccccc1.
What is the InChIKey of oct-3-en-2-yl phenyl carbonate?
The InChIKey is JNQNOZWIIULEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-5-7-10-13(2)17-15(16)18-14-11-8-6-9-12-14/h6-13H,3-5H2,1-2H3.
What are the key properties of oct-3-en-2-yl phenyl carbonate?
oct-3-en-2-yl phenyl carbonate has a molecular weight of 248.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oct-3-en-2-yl phenyl carbonate is sourced from PubChem (CID 150709874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).