(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane

C19H36O2 — CID 102462796

IUPAC(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane
SMILESC=C[C@H]1CC(OCCCC)O[C@@H]1CCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-18-17(6-3)16-19(21-18)20-15-8-5-2/h6,17-19H,3-5,7-16H2,1-2H3/t17-,18+,19?/m0/s1
InChIKeyVYTIUUYNUXEDTM-PAMZHZACSA-N
MW296.50 g/mol
LogP5.86
Rot. Bonds13

About (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane

(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane (PubChem CID 102462796) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane.

Molecular Properties

Compound Name(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane
PubChem CID102462796
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane
SMILESC=C[C@H]1CC(OCCCC)O[C@@H]1CCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-18-17(6-3)16-19(21-18)20-15-8-5-2/h6,17-19H,3-5,7-16H2,1-2H3/t17-,18+,19?/m0/s1
InChIKeyVYTIUUYNUXEDTM-PAMZHZACSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.86
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 (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane?
The IUPAC name of (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane (CID 102462796) is (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane.
What is the SMILES notation for (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane?
The canonical SMILES for (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane is C=C[C@H]1CC(OCCCC)O[C@@H]1CCCCCCCCC.
What is the InChIKey of (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane?
The InChIKey is VYTIUUYNUXEDTM-PAMZHZACSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-18-17(6-3)16-19(21-18)20-15-8-5-2/h6,17-19H,3-5,7-16H2,1-2H3/t17-,18+,19?/m0/s1.
What are the key properties of (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane?
(2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane has a molecular weight of 296.50 g/mol, XLogP of 5.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-butoxy-3-ethenyl-2-nonyloxolane is sourced from PubChem (CID 102462796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).