butane-1,2,4-tricarbaldehyde

C7H10O3 — CID 22174207

IUPACbutane-1,2,4-tricarbaldehyde
SMILESO=CCCC(C=O)CC=O
InChIInChI=1S/C7H10O3/c8-4-1-2-7(6-10)3-5-9/h4-7H,1-3H2
InChIKeyBWBDIVJHFOSTOD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.37
Rot. Bonds6

About butane-1,2,4-tricarbaldehyde

butane-1,2,4-tricarbaldehyde (PubChem CID 22174207) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is butane-1,2,4-tricarbaldehyde.

Molecular Properties

Compound Namebutane-1,2,4-tricarbaldehyde
PubChem CID22174207
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namebutane-1,2,4-tricarbaldehyde
SMILESO=CCCC(C=O)CC=O
InChIInChI=1S/C7H10O3/c8-4-1-2-7(6-10)3-5-9/h4-7H,1-3H2
InChIKeyBWBDIVJHFOSTOD-UHFFFAOYSA-N
XLogP0.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane-1,2,4-tricarbaldehyde?
The IUPAC name of butane-1,2,4-tricarbaldehyde (CID 22174207) is butane-1,2,4-tricarbaldehyde.
What is the SMILES notation for butane-1,2,4-tricarbaldehyde?
The canonical SMILES for butane-1,2,4-tricarbaldehyde is O=CCCC(C=O)CC=O.
What is the InChIKey of butane-1,2,4-tricarbaldehyde?
The InChIKey is BWBDIVJHFOSTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-1-2-7(6-10)3-5-9/h4-7H,1-3H2.
What are the key properties of butane-1,2,4-tricarbaldehyde?
butane-1,2,4-tricarbaldehyde has a molecular weight of 142.15 g/mol, XLogP of 0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,4-tricarbaldehyde is sourced from PubChem (CID 22174207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).