(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one

C10H16O4 — CID 102259375

IUPAC(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
SMILESCC1(C)C[C@H]([C@H]2C(=O)OC[C@@H]2O)[C@H]1O
InChIInChI=1S/C10H16O4/c1-10(2)3-5(8(10)12)7-6(11)4-14-9(7)13/h5-8,11-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKeyNAQAWCVQIKVKEM-ULAWRXDQSA-N
MW200.23 g/mol
LogP-0.07
Rot. Bonds1

About (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one

(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one (PubChem CID 102259375) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
PubChem CID102259375
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one
SMILESCC1(C)C[C@H]([C@H]2C(=O)OC[C@@H]2O)[C@H]1O
InChIInChI=1S/C10H16O4/c1-10(2)3-5(8(10)12)7-6(11)4-14-9(7)13/h5-8,11-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
InChIKeyNAQAWCVQIKVKEM-ULAWRXDQSA-N
XLogP-0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The IUPAC name of (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one (CID 102259375) is (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The canonical SMILES for (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one is CC1(C)C[C@H]([C@H]2C(=O)OC[C@@H]2O)[C@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
The InChIKey is NAQAWCVQIKVKEM-ULAWRXDQSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)3-5(8(10)12)7-6(11)4-14-9(7)13/h5-8,11-12H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one?
(3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]oxolan-2-one is sourced from PubChem (CID 102259375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).