3-methyl-6-(oxolan-2-yloxy)hexanal

C11H20O3 — CID 21245251

IUPAC3-methyl-6-(oxolan-2-yloxy)hexanal
SMILESCC(CC=O)CCCOC1CCCO1
InChIInChI=1S/C11H20O3/c1-10(6-7-12)4-2-8-13-11-5-3-9-14-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyUBDIHRDOMPXEDD-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds7

About 3-methyl-6-(oxolan-2-yloxy)hexanal

3-methyl-6-(oxolan-2-yloxy)hexanal (PubChem CID 21245251) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-6-(oxolan-2-yloxy)hexanal.

Molecular Properties

Compound Name3-methyl-6-(oxolan-2-yloxy)hexanal
PubChem CID21245251
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-methyl-6-(oxolan-2-yloxy)hexanal
SMILESCC(CC=O)CCCOC1CCCO1
InChIInChI=1S/C11H20O3/c1-10(6-7-12)4-2-8-13-11-5-3-9-14-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyUBDIHRDOMPXEDD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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 3-methyl-6-(oxolan-2-yloxy)hexanal?
The IUPAC name of 3-methyl-6-(oxolan-2-yloxy)hexanal (CID 21245251) is 3-methyl-6-(oxolan-2-yloxy)hexanal.
What is the SMILES notation for 3-methyl-6-(oxolan-2-yloxy)hexanal?
The canonical SMILES for 3-methyl-6-(oxolan-2-yloxy)hexanal is CC(CC=O)CCCOC1CCCO1.
What is the InChIKey of 3-methyl-6-(oxolan-2-yloxy)hexanal?
The InChIKey is UBDIHRDOMPXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(6-7-12)4-2-8-13-11-5-3-9-14-11/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of 3-methyl-6-(oxolan-2-yloxy)hexanal?
3-methyl-6-(oxolan-2-yloxy)hexanal has a molecular weight of 200.28 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(oxolan-2-yloxy)hexanal is sourced from PubChem (CID 21245251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).