[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol

C11H20O3 — CID 88887587

IUPAC[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
SMILESCC(C)[C@@H]1OC(C(O)C2CO2)C[C@H]1C
InChIInChI=1S/C11H20O3/c1-6(2)11-7(3)4-8(14-11)10(12)9-5-13-9/h6-12H,4-5H2,1-3H3/t7-,8?,9?,10?,11+/m1/s1
InChIKeySNJCEYJTKANJCS-NUEDSASKSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds3

About [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol

[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol (PubChem CID 88887587) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol.

Molecular Properties

Compound Name[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
PubChem CID88887587
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
SMILESCC(C)[C@@H]1OC(C(O)C2CO2)C[C@H]1C
InChIInChI=1S/C11H20O3/c1-6(2)11-7(3)4-8(14-11)10(12)9-5-13-9/h6-12H,4-5H2,1-3H3/t7-,8?,9?,10?,11+/m1/s1
InChIKeySNJCEYJTKANJCS-NUEDSASKSA-N
XLogP1.20
TPSA41.99 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol?
The IUPAC name of [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol (CID 88887587) is [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol.
What is the SMILES notation for [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol?
The canonical SMILES for [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol is CC(C)[C@@H]1OC(C(O)C2CO2)C[C@H]1C.
What is the InChIKey of [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol?
The InChIKey is SNJCEYJTKANJCS-NUEDSASKSA-N. The full InChI is InChI=1S/C11H20O3/c1-6(2)11-7(3)4-8(14-11)10(12)9-5-13-9/h6-12H,4-5H2,1-3H3/t7-,8?,9?,10?,11+/m1/s1.
What are the key properties of [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol?
[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol is sourced from PubChem (CID 88887587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).