10-propan-2-ylnonadecanal

C22H44O — CID 167408636

IUPAC10-propan-2-ylnonadecanal
SMILESCCCCCCCCCC(CCCCCCCCC=O)C(C)C
InChIInChI=1S/C22H44O/c1-4-5-6-7-9-12-15-18-22(21(2)3)19-16-13-10-8-11-14-17-20-23/h20-22H,4-19H2,1-3H3
InChIKeyFHCIFPXYUZKLOW-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.72
Rot. Bonds18

About 10-propan-2-ylnonadecanal

10-propan-2-ylnonadecanal (PubChem CID 167408636) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 10-propan-2-ylnonadecanal.

Molecular Properties

Compound Name10-propan-2-ylnonadecanal
PubChem CID167408636
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name10-propan-2-ylnonadecanal
SMILESCCCCCCCCCC(CCCCCCCCC=O)C(C)C
InChIInChI=1S/C22H44O/c1-4-5-6-7-9-12-15-18-22(21(2)3)19-16-13-10-8-11-14-17-20-23/h20-22H,4-19H2,1-3H3
InChIKeyFHCIFPXYUZKLOW-UHFFFAOYSA-N
XLogP7.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.72
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

8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
2-decyl-3-pentylnonanedial
CID 57219522
2-methyldecanal;undecanal
CID 159845344
decanal;decane
CID 157361056
2-methylundecanal;tetradecanal
CID 87951053
5,9-dimethylhexadecanal
CID 123900450
4-propan-2-yldecane
CID 15038736
azane;octadecanal
CID 87079794
tetrakis(rhodium);tridecanal
CID 173078093
undecanal;hydrate
CID 154984235

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-ylnonadecanal?
The IUPAC name of 10-propan-2-ylnonadecanal (CID 167408636) is 10-propan-2-ylnonadecanal.
What is the SMILES notation for 10-propan-2-ylnonadecanal?
The canonical SMILES for 10-propan-2-ylnonadecanal is CCCCCCCCCC(CCCCCCCCC=O)C(C)C.
What is the InChIKey of 10-propan-2-ylnonadecanal?
The InChIKey is FHCIFPXYUZKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-4-5-6-7-9-12-15-18-22(21(2)3)19-16-13-10-8-11-14-17-20-23/h20-22H,4-19H2,1-3H3.
What are the key properties of 10-propan-2-ylnonadecanal?
10-propan-2-ylnonadecanal has a molecular weight of 324.59 g/mol, XLogP of 7.72, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-ylnonadecanal is sourced from PubChem (CID 167408636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).