decanal;decane

C20H42O — CID 157361056

IUPACdecanal;decane
SMILESCCCCCCCCCC.CCCCCCCCCC=O
InChIInChI=1S/C10H20O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h10H,2-9H2,1H3;3-10H2,1-2H3
InChIKeyBIQJFQDJEORGKG-UHFFFAOYSA-N
MW298.55 g/mol
LogP7.47
Rot. Bonds15

About decanal;decane

decanal;decane (PubChem CID 157361056) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is decanal;decane.

Molecular Properties

Compound Namedecanal;decane
PubChem CID157361056
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Namedecanal;decane
SMILESCCCCCCCCCC.CCCCCCCCCC=O
InChIInChI=1S/C10H20O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h10H,2-9H2,1H3;3-10H2,1-2H3
InChIKeyBIQJFQDJEORGKG-UHFFFAOYSA-N
XLogP7.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 57.47
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'}

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Related Compounds

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decanal;dihydrochloride
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ruthenium;tridecanal
CID 175429355
calcium;hydride;octanal
CID 173446851
acetaldehyde;dodecanal
CID 163903587
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(E)-tetradec-7-enal
CID 5283367

Frequently Asked Questions

What is the IUPAC name of decanal;decane?
The IUPAC name of decanal;decane (CID 157361056) is decanal;decane.
What is the SMILES notation for decanal;decane?
The canonical SMILES for decanal;decane is CCCCCCCCCC.CCCCCCCCCC=O.
What is the InChIKey of decanal;decane?
The InChIKey is BIQJFQDJEORGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C10H22/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-10-8-6-4-2/h10H,2-9H2,1H3;3-10H2,1-2H3.
What are the key properties of decanal;decane?
decanal;decane has a molecular weight of 298.55 g/mol, XLogP of 7.47, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decanal;decane is sourced from PubChem (CID 157361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).