[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate

C14H16O2 — CID 18690780

IUPAC[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C/Cc1cccc2c1CCC2
InChIInChI=1S/C14H16O2/c1-11(15)16-10-4-8-13-6-2-5-12-7-3-9-14(12)13/h2,4-6,10H,3,7-9H2,1H3/b10-4+
InChIKeyYSVMDUPKMCCBEN-ONNFQVAWSA-N
MW216.28 g/mol
LogP2.79
Rot. Bonds3

About [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate

[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate (PubChem CID 18690780) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate
PubChem CID18690780
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C/Cc1cccc2c1CCC2
InChIInChI=1S/C14H16O2/c1-11(15)16-10-4-8-13-6-2-5-12-7-3-9-14(12)13/h2,4-6,10H,3,7-9H2,1H3/b10-4+
InChIKeyYSVMDUPKMCCBEN-ONNFQVAWSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate?
The IUPAC name of [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate (CID 18690780) is [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate.
What is the SMILES notation for [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate?
The canonical SMILES for [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate is CC(=O)O/C=C/Cc1cccc2c1CCC2.
What is the InChIKey of [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate?
The InChIKey is YSVMDUPKMCCBEN-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H16O2/c1-11(15)16-10-4-8-13-6-2-5-12-7-3-9-14(12)13/h2,4-6,10H,3,7-9H2,1H3/b10-4+.
What are the key properties of [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate?
[(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate has a molecular weight of 216.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,3-dihydro-1H-inden-4-yl)prop-1-enyl] acetate is sourced from PubChem (CID 18690780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).