(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one

C6H10O3 — CID 71751460

IUPAC(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])COC(=O)[C@@H]1O
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1/i1D3,2D3
InChIKeySERHXTVXHNVDKA-JJCAPIKSSA-N
MW136.18 g/mol
LogP-0.07
Rot. Bonds2

About (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one

(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one (PubChem CID 71751460) has the molecular formula C6H10O3 and a molecular weight of 136.18 g/mol. Its IUPAC name is (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one
PubChem CID71751460
Molecular FormulaC6H10O3
Molecular Weight136.18 g/mol
Exact Mass136.10
IUPAC Name(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])COC(=O)[C@@H]1O
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1/i1D3,2D3
InChIKeySERHXTVXHNVDKA-JJCAPIKSSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one?
The IUPAC name of (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one (CID 71751460) is (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one?
The canonical SMILES for (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])COC(=O)[C@@H]1O.
What is the InChIKey of (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one?
The InChIKey is SERHXTVXHNVDKA-JJCAPIKSSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1/i1D3,2D3.
What are the key properties of (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one?
(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one has a molecular weight of 136.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one is sourced from PubChem (CID 71751460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).