10-methoxydecanal

C11H22O2 — CID 86164283

IUPAC10-methoxydecanal
SMILESCOCCCCCCCCCC=O
InChIInChI=1S/C11H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12/h10H,2-9,11H2,1H3
InChIKeyRCSUJALFRAJGSJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.95
Rot. Bonds10

About 10-methoxydecanal

10-methoxydecanal (PubChem CID 86164283) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 10-methoxydecanal.

Molecular Properties

Compound Name10-methoxydecanal
PubChem CID86164283
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name10-methoxydecanal
SMILESCOCCCCCCCCCC=O
InChIInChI=1S/C11H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12/h10H,2-9,11H2,1H3
InChIKeyRCSUJALFRAJGSJ-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of 10-methoxydecanal?
The IUPAC name of 10-methoxydecanal (CID 86164283) is 10-methoxydecanal.
What is the SMILES notation for 10-methoxydecanal?
The canonical SMILES for 10-methoxydecanal is COCCCCCCCCCC=O.
What is the InChIKey of 10-methoxydecanal?
The InChIKey is RCSUJALFRAJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-13-11-9-7-5-3-2-4-6-8-10-12/h10H,2-9,11H2,1H3.
What are the key properties of 10-methoxydecanal?
10-methoxydecanal has a molecular weight of 186.29 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxydecanal is sourced from PubChem (CID 86164283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).