1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one

C15H28O4 — CID 15721338

IUPAC1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-13(16)15(18-3)12-11-14(17-2)19-15/h14H,4-12H2,1-3H3
InChIKeySYHCTRAORBPIKA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.43
Rot. Bonds10

About 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one

1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one (PubChem CID 15721338) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one
PubChem CID15721338
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(OC)CCC(OC)O1
InChIInChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-13(16)15(18-3)12-11-14(17-2)19-15/h14H,4-12H2,1-3H3
InChIKeySYHCTRAORBPIKA-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethoxyoxolan-2-yl)nonan-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

2,5-Dimethoxytetrahydrofuryl-3-butanone
CID 44719217
[(2S,5S)-5-propanoyloxolan-2-yl] acetate
CID 93475957
5-[3-(Methoxymethoxy)propyl]oxolan-3-one
CID 134859900
1-(Methoxymethoxy)decan-2-one
CID 135065656
1,1-Dimethoxyoctan-2-one
CID 248332
1,1-Diethoxyoctan-2-one
CID 10680251
1-(2,5-Dimethoxyoxolan-2-yl)heptadecan-1-one
CID 14204943
1-(2,5-Dimethoxyoxolan-2-yl)pentan-1-one
CID 15721336
1-(2,5-Dimethoxyoxolan-2-yl)heptan-1-one
CID 15721337
1-(2,5-Dimethoxyoxolan-2-yl)tridecan-1-one
CID 15721340
1-(2,5-Dimethoxyoxolan-2-yl)pentadecan-1-one
CID 15721341
(5-propanoyloxolan-2-yl) Acetate
CID 11084564

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one?
The IUPAC name of 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one (CID 15721338) is 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one is CCCCCCCCC(=O)C1(OC)CCC(OC)O1.
What is the InChIKey of 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one?
The InChIKey is SYHCTRAORBPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-13(16)15(18-3)12-11-14(17-2)19-15/h14H,4-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one?
1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one has a molecular weight of 272.38 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyoxolan-2-yl)nonan-1-one is sourced from PubChem (CID 15721338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).