(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate

C19H24O3 — CID 70144486

IUPAC(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
SMILESC=Cc1ccc(OC(=O)OC(C)(C)C2CCC=C(C)C2)cc1
InChIInChI=1S/C19H24O3/c1-5-15-9-11-17(12-10-15)21-18(20)22-19(3,4)16-8-6-7-14(2)13-16/h5,7,9-12,16H,1,6,8,13H2,2-4H3
InChIKeyHHEVHVGIZMPIIQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.37
Rot. Bonds4

About (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate

(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate (PubChem CID 70144486) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate.

Molecular Properties

Compound Name(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
PubChem CID70144486
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
SMILESC=Cc1ccc(OC(=O)OC(C)(C)C2CCC=C(C)C2)cc1
InChIInChI=1S/C19H24O3/c1-5-15-9-11-17(12-10-15)21-18(20)22-19(3,4)16-8-6-7-14(2)13-16/h5,7,9-12,16H,1,6,8,13H2,2-4H3
InChIKeyHHEVHVGIZMPIIQ-UHFFFAOYSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate?
The IUPAC name of (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate (CID 70144486) is (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate.
What is the SMILES notation for (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate?
The canonical SMILES for (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate is C=Cc1ccc(OC(=O)OC(C)(C)C2CCC=C(C)C2)cc1.
What is the InChIKey of (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate?
The InChIKey is HHEVHVGIZMPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-5-15-9-11-17(12-10-15)21-18(20)22-19(3,4)16-8-6-7-14(2)13-16/h5,7,9-12,16H,1,6,8,13H2,2-4H3.
What are the key properties of (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate?
(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate has a molecular weight of 300.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate is sourced from PubChem (CID 70144486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).