7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one

C15H28O4 — CID 134905362

IUPAC7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one
SMILESCC(=O)C(CCCCOC1CCCCO1)OC(C)C
InChIInChI=1S/C15H28O4/c1-12(2)19-14(13(3)16)8-4-6-10-17-15-9-5-7-11-18-15/h12,14-15H,4-11H2,1-3H3
InChIKeyVTQRAZCZJRKJLW-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.08
Rot. Bonds9

About 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one

7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one (PubChem CID 134905362) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one.

Molecular Properties

Compound Name7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one
PubChem CID134905362
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one
SMILESCC(=O)C(CCCCOC1CCCCO1)OC(C)C
InChIInChI=1S/C15H28O4/c1-12(2)19-14(13(3)16)8-4-6-10-17-15-9-5-7-11-18-15/h12,14-15H,4-11H2,1-3H3
InChIKeyVTQRAZCZJRKJLW-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-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

(4S)-4-butyl-2,2-dimethyl-1,3-dioxan-5-one
CID 12027932
2H-Pyran-3(4H)-one, 6-ethoxydihydro-2-methyl-
CID 546875
(7-Hydroperoxy-7-methoxy-2-oxoheptan-3-yl) acetate
CID 10537632
3-Methoxy-7-(oxan-2-yloxy)heptan-2-one
CID 15415821
(2R)-2-(methoxymethoxy)-6-(oxan-2-yloxy)hexanal
CID 16006997
2-(Oxan-2-yloxy)heptanal
CID 86040713
(r)-2-[(Tetrahydro-2h-pyran-2-yl)oxy]-3-hexanone
CID 129866319
(s)-2-[(Tetrahydro-2h-pyran-2-yl)oxy]-3-hexanone
CID 129866329
2-(2-Tetrahydropyranyloxy)-3-decanone
CID 129866553
2-[(Tetrahydro-2H-pyran-2-yl)oxy]octan-3-one
CID 134861568
Penisterine C
CID 170990688
7-(Oxan-2-yloxy)-1-(oxiran-2-yl)heptan-1-one
CID 10355058

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one?
The IUPAC name of 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one (CID 134905362) is 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one.
What is the SMILES notation for 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one?
The canonical SMILES for 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one is CC(=O)C(CCCCOC1CCCCO1)OC(C)C.
What is the InChIKey of 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one?
The InChIKey is VTQRAZCZJRKJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-12(2)19-14(13(3)16)8-4-6-10-17-15-9-5-7-11-18-15/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one?
7-(oxan-2-yloxy)-3-propan-2-yloxyheptan-2-one has a molecular weight of 272.38 g/mol, XLogP of 3.08, 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)-3-propan-2-yloxyheptan-2-one is sourced from PubChem (CID 134905362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).