6-(oxan-2-yloxy)hexanal

C11H20O3 — CID 10867341

IUPAC6-(oxan-2-yloxy)hexanal
SMILESO=CCCCCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h8,11H,1-7,9-10H2
InChIKeyPRGUNFCZRODZGQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds7

About 6-(oxan-2-yloxy)hexanal

6-(oxan-2-yloxy)hexanal (PubChem CID 10867341) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)hexanal.

Molecular Properties

Compound Name6-(oxan-2-yloxy)hexanal
PubChem CID10867341
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name6-(oxan-2-yloxy)hexanal
SMILESO=CCCCCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h8,11H,1-7,9-10H2
InChIKeyPRGUNFCZRODZGQ-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-yloxy)hexanal?
The IUPAC name of 6-(oxan-2-yloxy)hexanal (CID 10867341) is 6-(oxan-2-yloxy)hexanal.
What is the SMILES notation for 6-(oxan-2-yloxy)hexanal?
The canonical SMILES for 6-(oxan-2-yloxy)hexanal is O=CCCCCCOC1CCCCO1.
What is the InChIKey of 6-(oxan-2-yloxy)hexanal?
The InChIKey is PRGUNFCZRODZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h8,11H,1-7,9-10H2.
What are the key properties of 6-(oxan-2-yloxy)hexanal?
6-(oxan-2-yloxy)hexanal has a molecular weight of 200.28 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)hexanal is sourced from PubChem (CID 10867341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).