(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane

C15H28O3 — CID 176612942

IUPAC(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
SMILESC=C[C@@]1(OC)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C15H28O3/c1-8-15(17-7)13(11(4)5)18-12(9-10(2)3)14(15)16-6/h8,10-14H,1,9H2,2-7H3/t12-,13+,14-,15+/m1/s1
InChIKeyNYDKOZXHUOYFQS-BARDWOONSA-N
MW256.39 g/mol
LogP3.04
Rot. Bonds6

About (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane

(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane (PubChem CID 176612942) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
PubChem CID176612942
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
SMILESC=C[C@@]1(OC)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C15H28O3/c1-8-15(17-7)13(11(4)5)18-12(9-10(2)3)14(15)16-6/h8,10-14H,1,9H2,2-7H3/t12-,13+,14-,15+/m1/s1
InChIKeyNYDKOZXHUOYFQS-BARDWOONSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The IUPAC name of (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane (CID 176612942) is (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane.
What is the SMILES notation for (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The canonical SMILES for (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane is C=C[C@@]1(OC)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The InChIKey is NYDKOZXHUOYFQS-BARDWOONSA-N. The full InChI is InChI=1S/C15H28O3/c1-8-15(17-7)13(11(4)5)18-12(9-10(2)3)14(15)16-6/h8,10-14H,1,9H2,2-7H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
(2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane has a molecular weight of 256.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3-ethenyl-3,4-dimethoxy-5-(2-methylpropyl)-2-propan-2-yloxolane is sourced from PubChem (CID 176612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).