(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol

C11H20O3 — CID 102152350

IUPAC(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESC=CCC[C@@H]1CC[C@@](C)([C@H](O)CO)O1
InChIInChI=1S/C11H20O3/c1-3-4-5-9-6-7-11(2,14-9)10(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3/t9-,10-,11+/m1/s1
InChIKeyBFXMGCZETASZMC-MXWKQRLJSA-N
MW200.28 g/mol
LogP1.24
Rot. Bonds5

About (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol (PubChem CID 102152350) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol
PubChem CID102152350
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESC=CCC[C@@H]1CC[C@@](C)([C@H](O)CO)O1
InChIInChI=1S/C11H20O3/c1-3-4-5-9-6-7-11(2,14-9)10(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3/t9-,10-,11+/m1/s1
InChIKeyBFXMGCZETASZMC-MXWKQRLJSA-N
XLogP1.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
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 (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol (CID 102152350) is (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol is C=CCC[C@@H]1CC[C@@](C)([C@H](O)CO)O1.
What is the InChIKey of (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is BFXMGCZETASZMC-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-9-6-7-11(2,14-9)10(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3/t9-,10-,11+/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 200.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-5-but-3-enyl-2-methyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 102152350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).