(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane

C14H26O2 — CID 15438013

IUPAC(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane
SMILESC=C[C@@H]1CC(OCCCC)O[C@H]1CCCC
InChIInChI=1S/C14H26O2/c1-4-7-9-13-12(6-3)11-14(16-13)15-10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13+,14?/m1/s1
InChIKeyUIEACKGZVBFWJX-AMIUJLCOSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds8

About (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane

(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane (PubChem CID 15438013) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane.

Molecular Properties

Compound Name(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane
PubChem CID15438013
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane
SMILESC=C[C@@H]1CC(OCCCC)O[C@H]1CCCC
InChIInChI=1S/C14H26O2/c1-4-7-9-13-12(6-3)11-14(16-13)15-10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13+,14?/m1/s1
InChIKeyUIEACKGZVBFWJX-AMIUJLCOSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.91
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane?
The IUPAC name of (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane (CID 15438013) is (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane.
What is the SMILES notation for (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane?
The canonical SMILES for (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane is C=C[C@@H]1CC(OCCCC)O[C@H]1CCCC.
What is the InChIKey of (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane?
The InChIKey is UIEACKGZVBFWJX-AMIUJLCOSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-7-9-13-12(6-3)11-14(16-13)15-10-8-5-2/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13+,14?/m1/s1.
What are the key properties of (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane?
(2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-butoxy-2-butyl-3-ethenyloxolane is sourced from PubChem (CID 15438013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).