10-(10-oxodecoxy)decanal

C20H38O3 — CID 151900645

IUPAC10-(10-oxodecoxy)decanal
SMILESO=CCCCCCCCCCOCCCCCCCCCC=O
InChIInChI=1S/C20H38O3/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h17-18H,1-16,19-20H2
InChIKeySSRRFIBIRRTQDZ-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.64
Rot. Bonds20

About 10-(10-oxodecoxy)decanal

10-(10-oxodecoxy)decanal (PubChem CID 151900645) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 10-(10-oxodecoxy)decanal.

Molecular Properties

Compound Name10-(10-oxodecoxy)decanal
PubChem CID151900645
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name10-(10-oxodecoxy)decanal
SMILESO=CCCCCCCCCCOCCCCCCCCCC=O
InChIInChI=1S/C20H38O3/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h17-18H,1-16,19-20H2
InChIKeySSRRFIBIRRTQDZ-UHFFFAOYSA-N
XLogP5.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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CID 87509641
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pentadecanedial
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ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
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(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636
CID 54363583
CID 54363583
3-(5-sulfanylpentoxy)propanal
CID 177265933
3-heptoxypropanal
CID 59708059
2-(6-oxohexoxy)ethyl prop-2-enoate
CID 177296509
6-cyclopentyloxyhexanal
CID 129416066
4-[2-amino-3-(4-oxobutoxy)-2-(4-oxobutoxymethyl)propoxy]butanal
CID 88956265

Frequently Asked Questions

What is the IUPAC name of 10-(10-oxodecoxy)decanal?
The IUPAC name of 10-(10-oxodecoxy)decanal (CID 151900645) is 10-(10-oxodecoxy)decanal.
What is the SMILES notation for 10-(10-oxodecoxy)decanal?
The canonical SMILES for 10-(10-oxodecoxy)decanal is O=CCCCCCCCCCOCCCCCCCCCC=O.
What is the InChIKey of 10-(10-oxodecoxy)decanal?
The InChIKey is SSRRFIBIRRTQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c21-17-13-9-5-1-3-7-11-15-19-23-20-16-12-8-4-2-6-10-14-18-22/h17-18H,1-16,19-20H2.
What are the key properties of 10-(10-oxodecoxy)decanal?
10-(10-oxodecoxy)decanal has a molecular weight of 326.52 g/mol, XLogP of 5.64, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-oxodecoxy)decanal is sourced from PubChem (CID 151900645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).