bis(3-phenylprop-1-ynyl) carbonate

C19H14O3 — CID 89437290

IUPACbis(3-phenylprop-1-ynyl) carbonate
SMILESO=C(OC#CCc1ccccc1)OC#CCc1ccccc1
InChIInChI=1S/C19H14O3/c20-19(21-15-7-13-17-9-3-1-4-10-17)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,13-14H2
InChIKeyJUARJVDUONOTBW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.55
Rot. Bonds2

About bis(3-phenylprop-1-ynyl) carbonate

bis(3-phenylprop-1-ynyl) carbonate (PubChem CID 89437290) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is bis(3-phenylprop-1-ynyl) carbonate.

Molecular Properties

Compound Namebis(3-phenylprop-1-ynyl) carbonate
PubChem CID89437290
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Namebis(3-phenylprop-1-ynyl) carbonate
SMILESO=C(OC#CCc1ccccc1)OC#CCc1ccccc1
InChIInChI=1S/C19H14O3/c20-19(21-15-7-13-17-9-3-1-4-10-17)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,13-14H2
InChIKeyJUARJVDUONOTBW-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-phenylprop-1-ynyl) carbonate?
The IUPAC name of bis(3-phenylprop-1-ynyl) carbonate (CID 89437290) is bis(3-phenylprop-1-ynyl) carbonate.
What is the SMILES notation for bis(3-phenylprop-1-ynyl) carbonate?
The canonical SMILES for bis(3-phenylprop-1-ynyl) carbonate is O=C(OC#CCc1ccccc1)OC#CCc1ccccc1.
What is the InChIKey of bis(3-phenylprop-1-ynyl) carbonate?
The InChIKey is JUARJVDUONOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-19(21-15-7-13-17-9-3-1-4-10-17)22-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,13-14H2.
What are the key properties of bis(3-phenylprop-1-ynyl) carbonate?
bis(3-phenylprop-1-ynyl) carbonate has a molecular weight of 290.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-phenylprop-1-ynyl) carbonate is sourced from PubChem (CID 89437290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).