pentadecanedial

C15H28O2 — CID 22887412

IUPACpentadecanedial
SMILESO=CCCCCCCCCCCCCCC=O
InChIInChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h14-15H,1-13H2
InChIKeyXRSLUCBRAWAIRC-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.46
Rot. Bonds14

About pentadecanedial

pentadecanedial (PubChem CID 22887412) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is pentadecanedial.

Molecular Properties

Compound Namepentadecanedial
PubChem CID22887412
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namepentadecanedial
SMILESO=CCCCCCCCCCCCCCC=O
InChIInChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h14-15H,1-13H2
InChIKeyXRSLUCBRAWAIRC-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.46
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

25-hydroxypentacosanal
CID 90897330
henicos-20-enal
CID 14559831
9-silylnonanal
CID 123563301
decanal;decane
CID 157361056
12-fluorododecanal
CID 24837741
13-oxotridecylazanium bromide
CID 177225958
10-silyldecanal
CID 123679175
34-hydroxytetratriacontanal
CID 123873694
6-fluorohexanal
CID 9769
17-hydroxyheptadecanal
CID 134210784
tridec-12-enal
CID 57284057
hydron;pentanedial
CID 87858118

Frequently Asked Questions

What is the IUPAC name of pentadecanedial?
The IUPAC name of pentadecanedial (CID 22887412) is pentadecanedial.
What is the SMILES notation for pentadecanedial?
The canonical SMILES for pentadecanedial is O=CCCCCCCCCCCCCCC=O.
What is the InChIKey of pentadecanedial?
The InChIKey is XRSLUCBRAWAIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h14-15H,1-13H2.
What are the key properties of pentadecanedial?
pentadecanedial has a molecular weight of 240.39 g/mol, XLogP of 4.46, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecanedial is sourced from PubChem (CID 22887412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).