(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane

C13H22O — CID 135037631

IUPAC(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](C=C)[C@@H](CCCC)O1
InChIInChI=1S/C13H22O/c1-4-7-9-13-11(6-3)10-12(14-13)8-5-2/h5-6,11-13H,2-4,7-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyYQCZRHXFKHLWAT-RWMBFGLXSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds6

About (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane

(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane (PubChem CID 135037631) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane
PubChem CID135037631
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane
SMILESC=CC[C@H]1C[C@H](C=C)[C@@H](CCCC)O1
InChIInChI=1S/C13H22O/c1-4-7-9-13-11(6-3)10-12(14-13)8-5-2/h5-6,11-13H,2-4,7-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyYQCZRHXFKHLWAT-RWMBFGLXSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
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 (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane?
The IUPAC name of (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane (CID 135037631) is (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane.
What is the SMILES notation for (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane?
The canonical SMILES for (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane is C=CC[C@H]1C[C@H](C=C)[C@@H](CCCC)O1.
What is the InChIKey of (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane?
The InChIKey is YQCZRHXFKHLWAT-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H22O/c1-4-7-9-13-11(6-3)10-12(14-13)8-5-2/h5-6,11-13H,2-4,7-10H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane?
(2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane has a molecular weight of 194.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-butyl-3-ethenyl-5-prop-2-enyloxolane is sourced from PubChem (CID 135037631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).