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

C12H24O2 — CID 11264119

IUPAC(2S,4R)-2-butoxy-4-butyloxolane
SMILESCCCCO[C@@H]1C[C@@H](CCCC)CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZKMDWYZWEPIAJH-NEPJUHHUSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds7

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

(2S,4R)-2-butoxy-4-butyloxolane (PubChem CID 11264119) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2S,4R)-2-butoxy-4-butyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-butoxy-4-butyloxolane
PubChem CID11264119
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2S,4R)-2-butoxy-4-butyloxolane
SMILESCCCCO[C@@H]1C[C@@H](CCCC)CO1
InChIInChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZKMDWYZWEPIAJH-NEPJUHHUSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-butoxy-4-butyloxolane?
The IUPAC name of (2S,4R)-2-butoxy-4-butyloxolane (CID 11264119) is (2S,4R)-2-butoxy-4-butyloxolane.
What is the SMILES notation for (2S,4R)-2-butoxy-4-butyloxolane?
The canonical SMILES for (2S,4R)-2-butoxy-4-butyloxolane is CCCCO[C@@H]1C[C@@H](CCCC)CO1.
What is the InChIKey of (2S,4R)-2-butoxy-4-butyloxolane?
The InChIKey is ZKMDWYZWEPIAJH-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-7-11-9-12(14-10-11)13-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-2-butoxy-4-butyloxolane?
(2S,4R)-2-butoxy-4-butyloxolane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-butoxy-4-butyloxolane is sourced from PubChem (CID 11264119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).