(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol

C11H20O3 — CID 145071313

IUPAC(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol
SMILESC/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C11H20O3/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10,12H,6H2,1-4H3/b7-5+/t8-,9?,10+,11+/m0/s1
InChIKeyAMOWFRBFPLYBAE-CZXLWHLRSA-N
MW200.28 g/mol
LogP1.85
Rot. Bonds3

About (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol

(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol (PubChem CID 145071313) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol
PubChem CID145071313
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol
SMILESC/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C11H20O3/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10,12H,6H2,1-4H3/b7-5+/t8-,9?,10+,11+/m0/s1
InChIKeyAMOWFRBFPLYBAE-CZXLWHLRSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane
CID 145071287
3-But-3-enyl-2,5-dimethyloxolan-3-ol
CID 130820501
3-But-3-enyl-5,5-dimethyloxolan-3-ol
CID 131097877
2,5-Dimethyl-2-prop-2-enyloxolane-3,4-diol
CID 133683508

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol?
The IUPAC name of (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol (CID 145071313) is (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol.
What is the SMILES notation for (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol?
The canonical SMILES for (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol is C/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@@]1(C)O.
What is the InChIKey of (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol?
The InChIKey is AMOWFRBFPLYBAE-CZXLWHLRSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10,12H,6H2,1-4H3/b7-5+/t8-,9?,10+,11+/m0/s1.
What are the key properties of (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol?
(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol has a molecular weight of 200.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol is sourced from PubChem (CID 145071313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).