(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one

C8H14O3 — CID 15313663

IUPAC(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
SMILESC[C@@H](O)[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C8H14O3/c1-5(9)6-4-7(10)11-8(6,2)3/h5-6,9H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyMCKIHNVIQAIZNI-PHDIDXHHSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds1

About (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one

(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one (PubChem CID 15313663) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
PubChem CID15313663
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
SMILESC[C@@H](O)[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C8H14O3/c1-5(9)6-4-7(10)11-8(6,2)3/h5-6,9H,4H2,1-3H3/t5-,6-/m1/s1
InChIKeyMCKIHNVIQAIZNI-PHDIDXHHSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one?
The IUPAC name of (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one (CID 15313663) is (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one is C[C@@H](O)[C@H]1CC(=O)OC1(C)C.
What is the InChIKey of (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one?
The InChIKey is MCKIHNVIQAIZNI-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(9)6-4-7(10)11-8(6,2)3/h5-6,9H,4H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one?
(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 15313663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).