(3R)-3-hexyloxolane-2,5-dione

C10H16O3 — CID 3084893

IUPAC(3R)-3-hexyloxolane-2,5-dione
SMILESCCCCCC[C@@H]1CC(=O)OC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNTUIKGUMDLSOBX-MRVPVSSYSA-N
MW184.23 g/mol
LogP2.05
Rot. Bonds5

About (3R)-3-hexyloxolane-2,5-dione

(3R)-3-hexyloxolane-2,5-dione (PubChem CID 3084893) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3R)-3-hexyloxolane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-hexyloxolane-2,5-dione
PubChem CID3084893
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3R)-3-hexyloxolane-2,5-dione
SMILESCCCCCC[C@@H]1CC(=O)OC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNTUIKGUMDLSOBX-MRVPVSSYSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-dotriacontyloxolane-2,5-dione
CID 14694279
3-tetratetracontyloxolane-2,5-dione
CID 14694291
1,4-dioxane;3-octyloxolane-2,5-dione
CID 162186164
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064
3-[(E)-docos-5-enyl]oxolane-2,5-dione
CID 101277078
3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
3-(10-methylpentadecyl)oxolane-2,5-dione
CID 90097545
3-(6-butyldodecyl)oxolane-2,5-dione
CID 151288134
3-(10-ethylhexadecyl)oxolane-2,5-dione
CID 90097463
3-(8-ethylhexadecyl)oxolane-2,5-dione
CID 90097456
3-(7-ethylhexadecyl)oxolane-2,5-dione
CID 90097483
3-hexadec-4-enyloxolane-2,5-dione
CID 90097547

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hexyloxolane-2,5-dione?
The IUPAC name of (3R)-3-hexyloxolane-2,5-dione (CID 3084893) is (3R)-3-hexyloxolane-2,5-dione.
What is the SMILES notation for (3R)-3-hexyloxolane-2,5-dione?
The canonical SMILES for (3R)-3-hexyloxolane-2,5-dione is CCCCCC[C@@H]1CC(=O)OC1=O.
What is the InChIKey of (3R)-3-hexyloxolane-2,5-dione?
The InChIKey is NTUIKGUMDLSOBX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-hexyloxolane-2,5-dione?
(3R)-3-hexyloxolane-2,5-dione has a molecular weight of 184.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hexyloxolane-2,5-dione is sourced from PubChem (CID 3084893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).