ethene;hexanal;1,4-xylene

C16H26O — CID 145294494

IUPACethene;hexanal;1,4-xylene
SMILESC=C.CCCCCC=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H12O.C2H4/c1-7-3-5-8(2)6-4-7;1-2-3-4-5-6-7;1-2/h3-6H,1-2H3;6H,2-5H2,1H3;1-2H2
InChIKeyWXEZUNWOBWAODO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.87
Rot. Bonds4

About ethene;hexanal;1,4-xylene

ethene;hexanal;1,4-xylene (PubChem CID 145294494) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is ethene;hexanal;1,4-xylene.

Molecular Properties

Compound Nameethene;hexanal;1,4-xylene
PubChem CID145294494
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Nameethene;hexanal;1,4-xylene
SMILESC=C.CCCCCC=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H12O.C2H4/c1-7-3-5-8(2)6-4-7;1-2-3-4-5-6-7;1-2/h3-6H,1-2H3;6H,2-5H2,1H3;1-2H2
InChIKeyWXEZUNWOBWAODO-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;hexanal;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;hexane;1,4-xylene
CID 143308406
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753
hexanal;pentanal;propanedial
CID 157364967
dodecanal;ethane;N-methylethanamine;4-methylpyridin-1-ium
CID 142347210
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
4-(4-methylphenyl)butanal
CID 12719282

Frequently Asked Questions

What is the IUPAC name of ethene;hexanal;1,4-xylene?
The IUPAC name of ethene;hexanal;1,4-xylene (CID 145294494) is ethene;hexanal;1,4-xylene.
What is the SMILES notation for ethene;hexanal;1,4-xylene?
The canonical SMILES for ethene;hexanal;1,4-xylene is C=C.CCCCCC=O.Cc1ccc(C)cc1.
What is the InChIKey of ethene;hexanal;1,4-xylene?
The InChIKey is WXEZUNWOBWAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H12O.C2H4/c1-7-3-5-8(2)6-4-7;1-2-3-4-5-6-7;1-2/h3-6H,1-2H3;6H,2-5H2,1H3;1-2H2.
What are the key properties of ethene;hexanal;1,4-xylene?
ethene;hexanal;1,4-xylene has a molecular weight of 234.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hexanal;1,4-xylene is sourced from PubChem (CID 145294494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).