(2R,4S)-2-butoxy-4-ethyloxolane

C10H20O2 — CID 131848104

IUPAC(2R,4S)-2-butoxy-4-ethyloxolane
SMILESCCCCO[C@H]1C[C@H](CC)CO1
InChIInChI=1S/C10H20O2/c1-3-5-6-11-10-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyDIZWMNYGGOWYPH-VHSXEESVSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds5

About (2R,4S)-2-butoxy-4-ethyloxolane

(2R,4S)-2-butoxy-4-ethyloxolane (PubChem CID 131848104) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,4S)-2-butoxy-4-ethyloxolane.

Molecular Properties

Compound Name(2R,4S)-2-butoxy-4-ethyloxolane
PubChem CID131848104
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,4S)-2-butoxy-4-ethyloxolane
SMILESCCCCO[C@H]1C[C@H](CC)CO1
InChIInChI=1S/C10H20O2/c1-3-5-6-11-10-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyDIZWMNYGGOWYPH-VHSXEESVSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S)-2-butoxy-4-ethyloxolane 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

(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
4-but-1-enyl-2-butoxyoxolane
CID 85238910
2,5-dibutoxymorpholine
CID 20511445
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
CID 11790491
(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane
CID 15416031
(3R,3aR,5R,6aR)-5-butoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 132527848
2-butoxy-4-methylideneoxolane
CID 86160912
2-butyl-5-ethyl-1,3-dioxane
CID 89076507

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-butoxy-4-ethyloxolane?
The IUPAC name of (2R,4S)-2-butoxy-4-ethyloxolane (CID 131848104) is (2R,4S)-2-butoxy-4-ethyloxolane.
What is the SMILES notation for (2R,4S)-2-butoxy-4-ethyloxolane?
The canonical SMILES for (2R,4S)-2-butoxy-4-ethyloxolane is CCCCO[C@H]1C[C@H](CC)CO1.
What is the InChIKey of (2R,4S)-2-butoxy-4-ethyloxolane?
The InChIKey is DIZWMNYGGOWYPH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-11-10-7-9(4-2)8-12-10/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-2-butoxy-4-ethyloxolane?
(2R,4S)-2-butoxy-4-ethyloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-butoxy-4-ethyloxolane is sourced from PubChem (CID 131848104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).