6-(oxan-4-ylmethoxy)hexan-2-one

C12H22O3 — CID 62382275

IUPAC6-(oxan-4-ylmethoxy)hexan-2-one
SMILESCC(=O)CCCCOCC1CCOCC1
InChIInChI=1S/C12H22O3/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h12H,2-10H2,1H3
InChIKeyFZBQKKBEEJJQMP-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.19
Rot. Bonds7

About 6-(oxan-4-ylmethoxy)hexan-2-one

6-(oxan-4-ylmethoxy)hexan-2-one (PubChem CID 62382275) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)hexan-2-one.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)hexan-2-one
PubChem CID62382275
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name6-(oxan-4-ylmethoxy)hexan-2-one
SMILESCC(=O)CCCCOCC1CCOCC1
InChIInChI=1S/C12H22O3/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h12H,2-10H2,1H3
InChIKeyFZBQKKBEEJJQMP-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(oxan-4-ylmethoxy)pentanimidamide
CID 62383195
6-[(2-methylcyclopropyl)methoxy]hexan-2-one
CID 135222353
4-(5-chloropentoxymethyl)oxane
CID 62382987
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
8-[2-(oxan-4-yl)ethoxy]octanoic acid
CID 164916304
8-[2-(oxan-4-yl)ethoxy]octanamide
CID 175975617
methyl 3-[[N'-methyl-N-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]amino]propanoate
CID 111644126
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide
CID 116846813
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
9-(hydroxymethoxy)nonan-2-one
CID 171562629
4-[3-(oxan-4-ylmethoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673829

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)hexan-2-one?
The IUPAC name of 6-(oxan-4-ylmethoxy)hexan-2-one (CID 62382275) is 6-(oxan-4-ylmethoxy)hexan-2-one.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)hexan-2-one?
The canonical SMILES for 6-(oxan-4-ylmethoxy)hexan-2-one is CC(=O)CCCCOCC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)hexan-2-one?
The InChIKey is FZBQKKBEEJJQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(13)4-2-3-7-15-10-12-5-8-14-9-6-12/h12H,2-10H2,1H3.
What are the key properties of 6-(oxan-4-ylmethoxy)hexan-2-one?
6-(oxan-4-ylmethoxy)hexan-2-one has a molecular weight of 214.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)hexan-2-one is sourced from PubChem (CID 62382275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).