2-decyl-3-pentylnonanedial

C24H46O2 — CID 57219522

IUPAC2-decyl-3-pentylnonanedial
SMILESCCCCCCCCCCC(C=O)C(CCCCC)CCCCCC=O
InChIInChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-16-20-24(22-26)23(18-14-6-4-2)19-15-12-13-17-21-25/h21-24H,3-20H2,1-2H3
InChIKeyCESIUUSASHPPAH-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.68
Rot. Bonds21

About 2-decyl-3-pentylnonanedial

2-decyl-3-pentylnonanedial (PubChem CID 57219522) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-decyl-3-pentylnonanedial.

Molecular Properties

Compound Name2-decyl-3-pentylnonanedial
PubChem CID57219522
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name2-decyl-3-pentylnonanedial
SMILESCCCCCCCCCCC(C=O)C(CCCCC)CCCCCC=O
InChIInChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-16-20-24(22-26)23(18-14-6-4-2)19-15-12-13-17-21-25/h21-24H,3-20H2,1-2H3
InChIKeyCESIUUSASHPPAH-UHFFFAOYSA-N
XLogP7.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

10-propan-2-ylnonadecanal
CID 167408636
2-undecylpentadecanedial
CID 91207185
2-methyldecanal;undecanal
CID 159845344
decanal;decane
CID 157361056
2-methylundecanal;tetradecanal
CID 87951053
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
7-propyldodecanal
CID 21439180
calcium;hydride;octanal
CID 173446851

Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-pentylnonanedial?
The IUPAC name of 2-decyl-3-pentylnonanedial (CID 57219522) is 2-decyl-3-pentylnonanedial.
What is the SMILES notation for 2-decyl-3-pentylnonanedial?
The canonical SMILES for 2-decyl-3-pentylnonanedial is CCCCCCCCCCC(C=O)C(CCCCC)CCCCCC=O.
What is the InChIKey of 2-decyl-3-pentylnonanedial?
The InChIKey is CESIUUSASHPPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-7-8-9-10-11-16-20-24(22-26)23(18-14-6-4-2)19-15-12-13-17-21-25/h21-24H,3-20H2,1-2H3.
What are the key properties of 2-decyl-3-pentylnonanedial?
2-decyl-3-pentylnonanedial has a molecular weight of 366.63 g/mol, XLogP of 7.68, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-pentylnonanedial is sourced from PubChem (CID 57219522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).