dec-9-enyl phenyl carbonate

C17H24O3 — CID 90888843

IUPACdec-9-enyl phenyl carbonate
SMILESC=CCCCCCCCCOC(=O)Oc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-12-15-19-17(18)20-16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKeyUZCLCCCHJNSPGH-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.12
Rot. Bonds10

About dec-9-enyl phenyl carbonate

dec-9-enyl phenyl carbonate (PubChem CID 90888843) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is dec-9-enyl phenyl carbonate.

Molecular Properties

Compound Namedec-9-enyl phenyl carbonate
PubChem CID90888843
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namedec-9-enyl phenyl carbonate
SMILESC=CCCCCCCCCOC(=O)Oc1ccccc1
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-12-15-19-17(18)20-16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKeyUZCLCCCHJNSPGH-UHFFFAOYSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.12
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 dec-9-enyl phenyl carbonate?
The IUPAC name of dec-9-enyl phenyl carbonate (CID 90888843) is dec-9-enyl phenyl carbonate.
What is the SMILES notation for dec-9-enyl phenyl carbonate?
The canonical SMILES for dec-9-enyl phenyl carbonate is C=CCCCCCCCCOC(=O)Oc1ccccc1.
What is the InChIKey of dec-9-enyl phenyl carbonate?
The InChIKey is UZCLCCCHJNSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-12-15-19-17(18)20-16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2.
What are the key properties of dec-9-enyl phenyl carbonate?
dec-9-enyl phenyl carbonate has a molecular weight of 276.38 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl phenyl carbonate is sourced from PubChem (CID 90888843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).