(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate

C16H16O2 — CID 122549573

IUPAC(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate
SMILESC=CC1=CC=C2C=C(OC(=O)C(=C)C)C=CC2C1
InChIInChI=1S/C16H16O2/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)18-16(17)11(2)3/h4-8,10,13H,1-2,9H2,3H3
InChIKeyQUDDTXDOCJYFDA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.62
Rot. Bonds3

About (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate

(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate (PubChem CID 122549573) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate
PubChem CID122549573
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate
SMILESC=CC1=CC=C2C=C(OC(=O)C(=C)C)C=CC2C1
InChIInChI=1S/C16H16O2/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)18-16(17)11(2)3/h4-8,10,13H,1-2,9H2,3H3
InChIKeyQUDDTXDOCJYFDA-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate (CID 122549573) is (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate is C=CC1=CC=C2C=C(OC(=O)C(=C)C)C=CC2C1.
What is the InChIKey of (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate?
The InChIKey is QUDDTXDOCJYFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)18-16(17)11(2)3/h4-8,10,13H,1-2,9H2,3H3.
What are the key properties of (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate?
(6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-4a,5-dihydronaphthalen-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 122549573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).