(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane

C78H152Cl4N10O27 — CID 157497006

About (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane

(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane (PubChem CID 157497006) has the molecular formula C78H152Cl4N10O27 and a molecular weight of 1803.93 g/mol. Its IUPAC name is (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

• Compound Name: (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane
• PubChem CID: 157497006
• Molecular Formula: C78H152Cl4N10O27
• Molecular Weight: 1803.93 g/mol
• Exact Mass: 1800.96
• IUPAC Name: (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane
• SMILES: C.C.C.C.C.C.C.C.C.CCOC(=O)C(C)(Cl)[C@H](O)[C@H]1COC(C)(C)O1.CCOC(=O)C(C)C#N.CC[C@H]1OC(=O)[C@@](C)(Cl)[C@@H]1C.CC[C@H]1OC(=O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CC[C@H]1OC(O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CC[C@H]1OC(OC(C)=O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CO[C@H]1COC(C)(C)O1.C[C@@]1(Cl)C(=O)O[C@H](CO)[C@H]1O.C[C@]1(Cl)C(=O)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C11H19ClO5.C10H17N3O3.C8H13ClO2.C8H15N3O2.C8H13N3O2.2C6H9ClO4.C6H9NO2.C6H12O3.9CH4/c1-5-15-9(14)11(4,12)8(13)7-6-16-10(2,3)17-7;1-5-8-6(2)10(4,12-13-11)9(16-8)15-7(3)14;1-4-6-5(2)8(3,9)7(10)11-6;2*1-4-6-5(2)8(3,10-11-9)7(12)13-6;2*1-6(7)4(9)3(2-8)11-5(6)10;1-3-9-6(8)5(2)4-7;1-6(2)8-4-5(7-3)9-6;;;;;;;;;/h7-8,13H,5-6H2,1-4H3;6,8-9H,5H2,1-4H3;5-6H,4H2,1-3H3;5-7,12H,4H2,1-3H3;5-6H,4H2,1-3H3;2*3-4,8-9H,2H2,1H3;5H,3H2,1-2H3;5H,4H2,1-3H3;9*1H4/t7-,8-,11?;6-,8-,9?,10-;5-,6-,8+;5-,6-,7?,8-;5-,6-,8-;3-,4-,6+;3-,4-,6-;;5-;;;;;;;;;/m1111111.1........./s1
• InChIKey: BXYLGZCJRAIRFE-JGLVIXMDSA-N
• XLogP: 14.95
• TPSA: 540.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.93
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane?

The IUPAC name of (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane (CID 157497006) is (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane.

What is the SMILES notation for (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane?

The canonical SMILES for (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane is C.C.C.C.C.C.C.C.C.CCOC(=O)C(C)(Cl)[C@H](O)[C@H]1COC(C)(C)O1.CCOC(=O)C(C)C#N.CC[C@H]1OC(=O)[C@@](C)(Cl)[C@@H]1C.CC[C@H]1OC(=O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CC[C@H]1OC(O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CC[C@H]1OC(OC(C)=O)[C@](C)(N=[N+]=[N-])[C@@H]1C.CO[C@H]1COC(C)(C)O1.C[C@@]1(Cl)C(=O)O[C@H](CO)[C@H]1O.C[C@]1(Cl)C(=O)O[C@H](CO)[C@H]1O.

What is the InChIKey of (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane?

The InChIKey is BXYLGZCJRAIRFE-JGLVIXMDSA-N. The full InChI is InChI=1S/C11H19ClO5.C10H17N3O3.C8H13ClO2.C8H15N3O2.C8H13N3O2.2C6H9ClO4.C6H9NO2.C6H12O3.9CH4/c1-5-15-9(14)11(4,12)8(13)7-6-16-10(2,3)17-7;1-5-8-6(2)10(4,12-13-11)9(16-8)15-7(3)14;1-4-6-5(2)8(3,9)7(10)11-6;2*1-4-6-5(2)8(3,10-11-9)7(12)13-6;2*1-6(7)4(9)3(2-8)11-5(6)10;1-3-9-6(8)5(2)4-7;1-6(2)8-4-5(7-3)9-6;;;;;;;;;/h7-8,13H,5-6H2,1-4H3;6,8-9H,5H2,1-4H3;5-6H,4H2,1-3H3;5-7,12H,4H2,1-3H3;5-6H,4H2,1-3H3;2*3-4,8-9H,2H2,1H3;5H,3H2,1-2H3;5H,4H2,1-3H3;9*1H4/t7-,8-,11?;6-,8-,9?,10-;5-,6-,8+;5-,6-,7?,8-;5-,6-,8-;3-,4-,6+;3-,4-,6-;;5-;;;;;;;;;/m1111111.1........./s1.

What are the key properties of (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane?

(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane has a molecular weight of 1803.93 g/mol, XLogP of 14.95, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-ol;(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-one;[(3R,4S,5R)-3-azido-5-ethyl-3,4-dimethyloxolan-2-yl] acetate;(3S,4R,5R)-3-chloro-5-ethyl-3,4-dimethyloxolan-2-one;(3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;(3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one;ethyl (3R)-2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoate;ethyl 2-cyanopropanoate;methane;(4R)-4-methoxy-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 157497006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).