(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane

C16H28O2 — CID 135009185

IUPAC(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane
SMILESC=C[C@H]1CC(OCCCC)O[C@@H]1C1CCCCC1
InChIInChI=1S/C16H28O2/c1-3-5-11-17-15-12-13(4-2)16(18-15)14-9-7-6-8-10-14/h4,13-16H,2-3,5-12H2,1H3/t13-,15?,16-/m0/s1
InChIKeyVZUUEVKRHSJYLY-VFDRBLODSA-N
MW252.40 g/mol
LogP4.30
Rot. Bonds6

About (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane

(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane (PubChem CID 135009185) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane.

Molecular Properties

Compound Name(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane
PubChem CID135009185
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane
SMILESC=C[C@H]1CC(OCCCC)O[C@@H]1C1CCCCC1
InChIInChI=1S/C16H28O2/c1-3-5-11-17-15-12-13(4-2)16(18-15)14-9-7-6-8-10-14/h4,13-16H,2-3,5-12H2,1H3/t13-,15?,16-/m0/s1
InChIKeyVZUUEVKRHSJYLY-VFDRBLODSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane?
The IUPAC name of (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane (CID 135009185) is (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane.
What is the SMILES notation for (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane?
The canonical SMILES for (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane is C=C[C@H]1CC(OCCCC)O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane?
The InChIKey is VZUUEVKRHSJYLY-VFDRBLODSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-11-17-15-12-13(4-2)16(18-15)14-9-7-6-8-10-14/h4,13-16H,2-3,5-12H2,1H3/t13-,15?,16-/m0/s1.
What are the key properties of (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane?
(2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane has a molecular weight of 252.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-butoxy-2-cyclohexyl-3-ethenyloxolane is sourced from PubChem (CID 135009185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).