benzene-1,3-dicarbaldehyde;ethane

C10H12O2 — CID 91375977

IUPACbenzene-1,3-dicarbaldehyde;ethane
SMILESCC.O=Cc1cccc(C=O)c1
InChIInChI=1S/C8H6O2.C2H6/c9-5-7-2-1-3-8(4-7)6-10;1-2/h1-6H;1-2H3
InChIKeyIVASEBSCESWFMN-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.34
Rot. Bonds2

About benzene-1,3-dicarbaldehyde;ethane

benzene-1,3-dicarbaldehyde;ethane (PubChem CID 91375977) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is benzene-1,3-dicarbaldehyde;ethane.

Molecular Properties

Compound Namebenzene-1,3-dicarbaldehyde;ethane
PubChem CID91375977
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namebenzene-1,3-dicarbaldehyde;ethane
SMILESCC.O=Cc1cccc(C=O)c1
InChIInChI=1S/C8H6O2.C2H6/c9-5-7-2-1-3-8(4-7)6-10;1-2/h1-6H;1-2H3
InChIKeyIVASEBSCESWFMN-UHFFFAOYSA-N
XLogP2.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
3-bromobenzaldehyde;ethane
CID 91121301
benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
CID 174923777
benzaldehyde;ethane
CID 54495732
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
CID 134861589
CID 134861589
2-(3-formylphenyl)ethenylideneazanide
CID 139243021
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
benzene-1,3-dicarbaldehyde;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 170425148
benzaldehyde;ethane;methanol
CID 143448374
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
3-bromobenzaldehyde;hydrobromide
CID 87841856

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarbaldehyde;ethane?
The IUPAC name of benzene-1,3-dicarbaldehyde;ethane (CID 91375977) is benzene-1,3-dicarbaldehyde;ethane.
What is the SMILES notation for benzene-1,3-dicarbaldehyde;ethane?
The canonical SMILES for benzene-1,3-dicarbaldehyde;ethane is CC.O=Cc1cccc(C=O)c1.
What is the InChIKey of benzene-1,3-dicarbaldehyde;ethane?
The InChIKey is IVASEBSCESWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C2H6/c9-5-7-2-1-3-8(4-7)6-10;1-2/h1-6H;1-2H3.
What are the key properties of benzene-1,3-dicarbaldehyde;ethane?
benzene-1,3-dicarbaldehyde;ethane has a molecular weight of 164.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarbaldehyde;ethane is sourced from PubChem (CID 91375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).