(2S,5R)-2-butyl-5-prop-2-enyloxolane

C11H20O — CID 134857944

IUPAC(2S,5R)-2-butyl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1CC[C@H](CCCC)O1
InChIInChI=1S/C11H20O/c1-3-5-7-11-9-8-10(12-11)6-4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m0/s1
InChIKeyRWUDTTGIIMYPQR-QWRGUYRKSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds5

About (2S,5R)-2-butyl-5-prop-2-enyloxolane

(2S,5R)-2-butyl-5-prop-2-enyloxolane (PubChem CID 134857944) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,5R)-2-butyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(2S,5R)-2-butyl-5-prop-2-enyloxolane
PubChem CID134857944
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,5R)-2-butyl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1CC[C@H](CCCC)O1
InChIInChI=1S/C11H20O/c1-3-5-7-11-9-8-10(12-11)6-4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m0/s1
InChIKeyRWUDTTGIIMYPQR-QWRGUYRKSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-butyl-5-prop-2-enyloxolane?
The IUPAC name of (2S,5R)-2-butyl-5-prop-2-enyloxolane (CID 134857944) is (2S,5R)-2-butyl-5-prop-2-enyloxolane.
What is the SMILES notation for (2S,5R)-2-butyl-5-prop-2-enyloxolane?
The canonical SMILES for (2S,5R)-2-butyl-5-prop-2-enyloxolane is C=CC[C@H]1CC[C@H](CCCC)O1.
What is the InChIKey of (2S,5R)-2-butyl-5-prop-2-enyloxolane?
The InChIKey is RWUDTTGIIMYPQR-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-7-11-9-8-10(12-11)6-4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,5R)-2-butyl-5-prop-2-enyloxolane?
(2S,5R)-2-butyl-5-prop-2-enyloxolane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-butyl-5-prop-2-enyloxolane is sourced from PubChem (CID 134857944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).