(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one

C8H14O5 — CID 163955242

IUPAC(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCOC(O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C8H14O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h5-6,9H,4H2,1-3H3/t5-,6?/m1/s1
InChIKeySCTXKBCMDPZWQG-LWOQYNTDSA-N
MW190.19 g/mol
LogP0.02
Rot. Bonds3

About (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one

(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 163955242) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID163955242
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCOC(O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C8H14O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h5-6,9H,4H2,1-3H3/t5-,6?/m1/s1
InChIKeySCTXKBCMDPZWQG-LWOQYNTDSA-N
XLogP0.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 129184793
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
(5S)-5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 11229802
ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
CID 147020402
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 122670979
2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 21356677
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)ethyl methanesulfonate
CID 22639903
(2,3,4,5,6-pentafluorophenyl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 89191791
5-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid;2-hydroxy-7-methoxy-7-oxoheptanoic acid
CID 162028248
(5S)-5-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 141159325
5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54749074
(5R)-5-(isocyanatomethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 130647616

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one (CID 163955242) is (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one is COC(O)C[C@H]1OC(C)(C)OC1=O.
What is the InChIKey of (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is SCTXKBCMDPZWQG-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(2)12-5(7(10)13-8)4-6(9)11-3/h5-6,9H,4H2,1-3H3/t5-,6?/m1/s1.
What are the key properties of (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 190.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 163955242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).