7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one

C14H24O4 — CID 10355058

IUPAC7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one
SMILESO=C(CCCCCCOC1CCCCO1)C1CO1
InChIInChI=1S/C14H24O4/c15-12(13-11-18-13)7-3-1-2-5-9-16-14-8-4-6-10-17-14/h13-14H,1-11H2
InChIKeyXVCGUFZUKBNSHH-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.45
Rot. Bonds9

About 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one

7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one (PubChem CID 10355058) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one
PubChem CID10355058
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one
SMILESO=C(CCCCCCOC1CCCCO1)C1CO1
InChIInChI=1S/C14H24O4/c15-12(13-11-18-13)7-3-1-2-5-9-16-14-8-4-6-10-17-14/h13-14H,1-11H2
InChIKeyXVCGUFZUKBNSHH-UHFFFAOYSA-N
XLogP2.45
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-7-(oxan-2-yloxy)heptan-2-one
CID 15415821
2-(2-Tetrahydropyranyloxy)-3-decanone
CID 129866553
2-[(Tetrahydro-2H-pyran-2-yl)oxy]octan-3-one
CID 134861568
7-(Oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one
CID 134905362
4-(Oxan-2-yloxy)decan-2-one
CID 10956192
3-[4-(Oxan-2-yloxy)butyl]oxirane-2-carbaldehyde
CID 13853647
(2R,3S)-3-[4-(oxan-2-yloxy)butyl]oxirane-2-carbaldehyde
CID 13853648
4-Hexyl-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
CID 21397287
Methyl 2,3-anhydro-5-octylpentopyranosid-4-ulose
CID 21397290
2-Ethoxy-4-hexyl-3,7-dioxabicyclo[4.1.0]heptan-5-one
CID 21397308
Ethyl 2,3-anhydro-5-octylpentopyranosid-4-ulose
CID 21397343
1-(6-Methoxyoxan-2-yl)butan-2-one
CID 23514766

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one?
The IUPAC name of 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one (CID 10355058) is 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one.
What is the SMILES notation for 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one?
The canonical SMILES for 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one is O=C(CCCCCCOC1CCCCO1)C1CO1.
What is the InChIKey of 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one?
The InChIKey is XVCGUFZUKBNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-12(13-11-18-13)7-3-1-2-5-9-16-14-8-4-6-10-17-14/h13-14H,1-11H2.
What are the key properties of 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one?
7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one has a molecular weight of 256.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one is sourced from PubChem (CID 10355058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).