(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one

C10H18O4 — CID 102593602

IUPAC(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one
SMILESCOCO[C@@H](C)[C@@H]1OC(=O)[C@H](C)[C@H]1C
InChIInChI=1S/C10H18O4/c1-6-7(2)10(11)14-9(6)8(3)13-5-12-4/h6-9H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1
InChIKeyGREQQOLKJAEKMJ-LURQLKTLSA-N
MW202.25 g/mol
LogP1.19
Rot. Bonds4

About (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one

(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one (PubChem CID 102593602) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one
PubChem CID102593602
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one
SMILESCOCO[C@@H](C)[C@@H]1OC(=O)[C@H](C)[C@H]1C
InChIInChI=1S/C10H18O4/c1-6-7(2)10(11)14-9(6)8(3)13-5-12-4/h6-9H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1
InChIKeyGREQQOLKJAEKMJ-LURQLKTLSA-N
XLogP1.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-malonic Acid Diethyl Ester
CID 14272259
Methyl 2-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-3-oxobutanoate
CID 373313
Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
trans-ethyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylcyclopropane-1-carboxylate
CID 10846964
(3R,4R,5R)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-one
CID 11805483
[(2Rs,4r)-tetrahydro-4-isopropyl-5-oxofuran-2-yl]methyl acetate
CID 45140870
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 59051769
Dimethyl {(1s,2s,3r,5r)-4,4-ethylenedioxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diyl}diacetate
CID 129758235
2,2,4-Trimethyl-5-(2-carbomethoxyethyl)-1,3-dioxolane
CID 129787039
Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
CID 135038986
2,6,7-Trimethyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 139245018
(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-4-methyloxolan-2-one
CID 146018101

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one (CID 102593602) is (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one is COCO[C@@H](C)[C@@H]1OC(=O)[C@H](C)[C@H]1C.
What is the InChIKey of (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one?
The InChIKey is GREQQOLKJAEKMJ-LURQLKTLSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-7(2)10(11)14-9(6)8(3)13-5-12-4/h6-9H,5H2,1-4H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one?
(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 102593602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).