hexanal;pentanal;propanedial

C14H26O4 — CID 157364967

IUPAChexanal;pentanal;propanedial
SMILESCCCCC=O.CCCCCC=O.O=CCC=O
InChIInChI=1S/C6H12O.C5H10O.C3H4O2/c1-2-3-4-5-6-7;1-2-3-4-5-6;4-2-1-3-5/h6H,2-5H2,1H3;5H,2-4H2,1H3;2-3H,1H2
InChIKeyBJBMXVQYJNODIZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.92
Rot. Bonds9

About hexanal;pentanal;propanedial

hexanal;pentanal;propanedial (PubChem CID 157364967) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is hexanal;pentanal;propanedial.

Molecular Properties

Compound Namehexanal;pentanal;propanedial
PubChem CID157364967
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Namehexanal;pentanal;propanedial
SMILESCCCCC=O.CCCCCC=O.O=CCC=O
InChIInChI=1S/C6H12O.C5H10O.C3H4O2/c1-2-3-4-5-6-7;1-2-3-4-5-6;4-2-1-3-5/h6H,2-5H2,1H3;5H,2-4H2,1H3;2-3H,1H2
InChIKeyBJBMXVQYJNODIZ-UHFFFAOYSA-N
XLogP2.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 173078093
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CID 87079794
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
ruthenium;tridecanal
CID 175429355
pentanal;stannane
CID 173131916
neodymium;pentanal
CID 87838749
calcium;hydride;octanal
CID 173446851
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CID 175209902

Frequently Asked Questions

What is the IUPAC name of hexanal;pentanal;propanedial?
The IUPAC name of hexanal;pentanal;propanedial (CID 157364967) is hexanal;pentanal;propanedial.
What is the SMILES notation for hexanal;pentanal;propanedial?
The canonical SMILES for hexanal;pentanal;propanedial is CCCCC=O.CCCCCC=O.O=CCC=O.
What is the InChIKey of hexanal;pentanal;propanedial?
The InChIKey is BJBMXVQYJNODIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O.C3H4O2/c1-2-3-4-5-6-7;1-2-3-4-5-6;4-2-1-3-5/h6H,2-5H2,1H3;5H,2-4H2,1H3;2-3H,1H2.
What are the key properties of hexanal;pentanal;propanedial?
hexanal;pentanal;propanedial has a molecular weight of 258.36 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanal;pentanal;propanedial is sourced from PubChem (CID 157364967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).