methyl 5-phenylpent-1-en-3-yl carbonate

C13H16O3 — CID 71360684

IUPACmethyl 5-phenylpent-1-en-3-yl carbonate
SMILESC=CC(CCc1ccccc1)OC(=O)OC
InChIInChI=1S/C13H16O3/c1-3-12(16-13(14)15-2)10-9-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2,2H3
InChIKeyAUOSKDROUSTSHI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.96
Rot. Bonds5

About methyl 5-phenylpent-1-en-3-yl carbonate

methyl 5-phenylpent-1-en-3-yl carbonate (PubChem CID 71360684) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 5-phenylpent-1-en-3-yl carbonate.

Molecular Properties

Compound Namemethyl 5-phenylpent-1-en-3-yl carbonate
PubChem CID71360684
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 5-phenylpent-1-en-3-yl carbonate
SMILESC=CC(CCc1ccccc1)OC(=O)OC
InChIInChI=1S/C13H16O3/c1-3-12(16-13(14)15-2)10-9-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2,2H3
InChIKeyAUOSKDROUSTSHI-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 5-phenylpent-1-en-3-yl carbonate?
The IUPAC name of methyl 5-phenylpent-1-en-3-yl carbonate (CID 71360684) is methyl 5-phenylpent-1-en-3-yl carbonate.
What is the SMILES notation for methyl 5-phenylpent-1-en-3-yl carbonate?
The canonical SMILES for methyl 5-phenylpent-1-en-3-yl carbonate is C=CC(CCc1ccccc1)OC(=O)OC.
What is the InChIKey of methyl 5-phenylpent-1-en-3-yl carbonate?
The InChIKey is AUOSKDROUSTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-12(16-13(14)15-2)10-9-11-7-5-4-6-8-11/h3-8,12H,1,9-10H2,2H3.
What are the key properties of methyl 5-phenylpent-1-en-3-yl carbonate?
methyl 5-phenylpent-1-en-3-yl carbonate has a molecular weight of 220.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylpent-1-en-3-yl carbonate is sourced from PubChem (CID 71360684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).