formaldehyde;hexane;1,4-xylene

C15H26O — CID 143308406

IUPACformaldehyde;hexane;1,4-xylene
SMILESC=O.CCCCCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H14.CH2O/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1H2
InChIKeyXQRRCLBQHMBGJE-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.71
Rot. Bonds3

About formaldehyde;hexane;1,4-xylene

formaldehyde;hexane;1,4-xylene (PubChem CID 143308406) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is formaldehyde;hexane;1,4-xylene.

Molecular Properties

Compound Nameformaldehyde;hexane;1,4-xylene
PubChem CID143308406
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameformaldehyde;hexane;1,4-xylene
SMILESC=O.CCCCCC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C6H14.CH2O/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1H2
InChIKeyXQRRCLBQHMBGJE-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-methylbenzene;formaldehyde;heptane
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ethene;hexanal;1,4-xylene
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benzene;heptane;hexane;toluene
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bis(heptane);toluene
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carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-octylbenzene
CID 11052746
chloroform;ethane-1,2-diol;hexane;1,4-xylene
CID 174964362
decane;sulfane;toluene
CID 157105742
1-chloro-4-methylbenzene;pentane
CID 142041532

Frequently Asked Questions

What is the IUPAC name of formaldehyde;hexane;1,4-xylene?
The IUPAC name of formaldehyde;hexane;1,4-xylene (CID 143308406) is formaldehyde;hexane;1,4-xylene.
What is the SMILES notation for formaldehyde;hexane;1,4-xylene?
The canonical SMILES for formaldehyde;hexane;1,4-xylene is C=O.CCCCCC.Cc1ccc(C)cc1.
What is the InChIKey of formaldehyde;hexane;1,4-xylene?
The InChIKey is XQRRCLBQHMBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14.CH2O/c1-7-3-5-8(2)6-4-7;1-3-5-6-4-2;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1H2.
What are the key properties of formaldehyde;hexane;1,4-xylene?
formaldehyde;hexane;1,4-xylene has a molecular weight of 222.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;hexane;1,4-xylene is sourced from PubChem (CID 143308406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).