(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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Related Compounds

3-hydroxy-4,4-bis(hydroxymethyl)oxolan-2-one
CID 11137448
3-hydroxy-4,4-dimethyl-3,5-dihydro-1,6-benzodioxonine-2,7-dione
CID 54067301
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
3-(2-hydroxybenzoyl)-4,4-dimethyloxolan-2-one
CID 13244745
3-hydroxy-4,4-dimethyloxolan-2-one;(1S,2R,6R,7R)-1,2,4,7-tetrahydroxy-3,3-dimethyl-5,9-dioxatricyclo[4.4.0.02,4]decan-10-one
CID 18596296
3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
CID 70168376
4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
CID 12678995
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium
CID 159062338
4,4-dimethyl-2-methylideneoxolan-3-ol
CID 89151704
methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
CID 101432003

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).