3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one

C15H24O5 — CID 15658435

IUPAC3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one
SMILESC[C@@H](CCCC(=O)C1CCOC1=O)OC1CCCCO1
InChIInChI=1S/C15H24O5/c1-11(20-14-7-2-3-9-18-14)5-4-6-13(16)12-8-10-19-15(12)17/h11-12,14H,2-10H2,1H3/t11-,12?,14?/m0/s1
InChIKeyWFOYXVNWMCNTNA-DCBWTQNWSA-N
MW284.35 g/mol
LogP2.22
Rot. Bonds7

About 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one

3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one (PubChem CID 15658435) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one
PubChem CID15658435
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one
SMILESC[C@@H](CCCC(=O)C1CCOC1=O)OC1CCCCO1
InChIInChI=1S/C15H24O5/c1-11(20-14-7-2-3-9-18-14)5-4-6-13(16)12-8-10-19-15(12)17/h11-12,14H,2-10H2,1H3/t11-,12?,14?/m0/s1
InChIKeyWFOYXVNWMCNTNA-DCBWTQNWSA-N
XLogP2.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-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

[(6R,9R,10S)-6,10-dimethyl-9-[(2S)-3-oxopentan-2-yl]-1,4,8-trioxaspiro[4.5]decan-7-yl] 2,2-dimethylpropanoate
CID 46703151
(2s,4As,13as)-2,3,3-trimethoxyoctahydro-2h-pyrano[2,3-c]oxacycloundecine-5,11(3h,6h)-dione
CID 129758403
(2s,4As,18as)-2,3,3-trimethoxyhexadecahydro-pyrano[2,3-c]oxacyclohexadecine-5,16-dione
CID 129758447
Ethyl 3,5-ethylidenedioxy-2,4-dimethylheptanoate
CID 129810135
[(2R,3R)-2-[(2S,4S,5S)-2,5-dimethyl-6-oxo-1,3-dioxan-4-yl]-4-methylpentan-3-yl] acetate
CID 134858329
1-O-methyl 3-O-(oxan-2-yl) 2-nonadecanoylpropanedioate
CID 134872463
1-O-methyl 3-O-(oxan-2-yl) 2-hexadecanoylpropanedioate
CID 134872689
(3S, 4S, 6R) tetrahydro-3-hexyl-4-[(tetrahydro-2H-pyran-2-yl)oxy]-6-undecyl-2H-pyran-2-one
CID 11015653
propan-2-yl 7-[(1R,2R,3R)-3-(oxan-2-yloxy)-5-oxo-2-(3-oxodecyl)cyclopentyl]heptanoate
CID 11540731
Methyl 2-(oxan-2-yloxymethyl)-5-oxocyclopentane-1-carboxylate
CID 13438382
Methyl (+)-2,4-dimethyl-3-tetrahydropyranyloxy-1-heptanoate
CID 14280461
(1S,2S,6S,11R,14R)-14-methoxy-11-methyl-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione
CID 15276056

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one?
The IUPAC name of 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one (CID 15658435) is 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one.
What is the SMILES notation for 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one?
The canonical SMILES for 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one is C[C@@H](CCCC(=O)C1CCOC1=O)OC1CCCCO1.
What is the InChIKey of 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one?
The InChIKey is WFOYXVNWMCNTNA-DCBWTQNWSA-N. The full InChI is InChI=1S/C15H24O5/c1-11(20-14-7-2-3-9-18-14)5-4-6-13(16)12-8-10-19-15(12)17/h11-12,14H,2-10H2,1H3/t11-,12?,14?/m0/s1.
What are the key properties of 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one?
3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one has a molecular weight of 284.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-(oxan-2-yloxy)hexanoyl]oxolan-2-one is sourced from PubChem (CID 15658435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).