ethane;2-ethenylnaphthalene-1-carbaldehyde

C15H16O — CID 91162051

IUPACethane;2-ethenylnaphthalene-1-carbaldehyde
SMILESC=Cc1ccc2ccccc2c1C=O.CC
InChIInChI=1S/C13H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h2-9H,1H2;1-2H3
InChIKeyIUISDSNUDJJKNB-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.32
Rot. Bonds2

About ethane;2-ethenylnaphthalene-1-carbaldehyde

ethane;2-ethenylnaphthalene-1-carbaldehyde (PubChem CID 91162051) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;2-ethenylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Nameethane;2-ethenylnaphthalene-1-carbaldehyde
PubChem CID91162051
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Nameethane;2-ethenylnaphthalene-1-carbaldehyde
SMILESC=Cc1ccc2ccccc2c1C=O.CC
InChIInChI=1S/C13H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h2-9H,1H2;1-2H3
InChIKeyIUISDSNUDJJKNB-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenylnaphthalene-1-carbaldehyde?
The IUPAC name of ethane;2-ethenylnaphthalene-1-carbaldehyde (CID 91162051) is ethane;2-ethenylnaphthalene-1-carbaldehyde.
What is the SMILES notation for ethane;2-ethenylnaphthalene-1-carbaldehyde?
The canonical SMILES for ethane;2-ethenylnaphthalene-1-carbaldehyde is C=Cc1ccc2ccccc2c1C=O.CC.
What is the InChIKey of ethane;2-ethenylnaphthalene-1-carbaldehyde?
The InChIKey is IUISDSNUDJJKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h2-9H,1H2;1-2H3.
What are the key properties of ethane;2-ethenylnaphthalene-1-carbaldehyde?
ethane;2-ethenylnaphthalene-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 91162051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).