(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol

C14H26O3 — CID 176612975

IUPAC(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
SMILESC=C[C@@]1(OC)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H26O3/c1-7-14(16-6)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15H,1,8H2,2-6H3/t11-,12-,13+,14-/m1/s1
InChIKeyYRDSMTYEHHUEEE-YIYPIFLZSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds5

About (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol

(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol (PubChem CID 176612975) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
PubChem CID176612975
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol
SMILESC=C[C@@]1(OC)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H26O3/c1-7-14(16-6)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15H,1,8H2,2-6H3/t11-,12-,13+,14-/m1/s1
InChIKeyYRDSMTYEHHUEEE-YIYPIFLZSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol (CID 176612975) is (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol is C=C[C@@]1(OC)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol?
The InChIKey is YRDSMTYEHHUEEE-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H26O3/c1-7-14(16-6)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15H,1,8H2,2-6H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol?
(2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol has a molecular weight of 242.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-ethenyl-4-methoxy-2-(2-methylpropyl)-5-propan-2-yloxolan-3-ol is sourced from PubChem (CID 176612975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).