(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)

C101H170O20 — CID 158407336

IUPAC(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O
InChIInChI=1S/C19H30O2.2C16H26O3.2C14H26O2.C12H20O4.C10H16O4/c1-5-18(3,4)17(20)21-19(6-2)10-13-9-14(19)16-12-7-11(8-12)15(13)16;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-6-11(3,4)10(14)16-12(5)7-9(13)15-8(12)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h11-16H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;2*11H,6-10H2,1-5H3;8H,6-7H2,1-5H3;7H,4-6H2,1-3H3
InChIKeyGYWBQMXMYPUOOC-UHFFFAOYSA-N
MW1704.45 g/mol
LogP21.74
Rot. Bonds24

About (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)

(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) (PubChem CID 158407336) has the molecular formula C101H170O20 and a molecular weight of 1704.45 g/mol. Its IUPAC name is (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate).

Molecular Properties

Compound Name(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
PubChem CID158407336
Molecular FormulaC101H170O20
Molecular Weight1704.45 g/mol
Exact Mass1703.23
IUPAC Name(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O
InChIInChI=1S/C19H30O2.2C16H26O3.2C14H26O2.C12H20O4.C10H16O4/c1-5-18(3,4)17(20)21-19(6-2)10-13-9-14(19)16-12-7-11(8-12)15(13)16;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-6-11(3,4)10(14)16-12(5)7-9(13)15-8(12)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h11-16H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;2*11H,6-10H2,1-5H3;8H,6-7H2,1-5H3;7H,4-6H2,1-3H3
InChIKeyGYWBQMXMYPUOOC-UHFFFAOYSA-N
XLogP21.74
TPSA277.16 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.45
LogP ≤ 521.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) 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

(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 157300808
(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 91593427
(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 165010277
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 160644069
bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 159593636
2-carboxyphenolate;(2-ethoxy-2-oxoethyl) 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium
CID 158895343
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 161311048
(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate
CID 159237618
1,4-dithiepan-2-yl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158037887
(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylbutanoate
CID 91298843
(2-ethyl-2-adamantyl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157484282
[2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
CID 160546031

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?
The IUPAC name of (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) (CID 158407336) is (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate).
What is the SMILES notation for (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?
The canonical SMILES for (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CC(=O)OC1C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.
What is the InChIKey of (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?
The InChIKey is GYWBQMXMYPUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.2C16H26O3.2C14H26O2.C12H20O4.C10H16O4/c1-5-18(3,4)17(20)21-19(6-2)10-13-9-14(19)16-12-7-11(8-12)15(13)16;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-6-11(3,4)10(14)16-12(5)7-9(13)15-8(12)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h11-16H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;2*11H,6-10H2,1-5H3;8H,6-7H2,1-5H3;7H,4-6H2,1-3H3.
What are the key properties of (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?
(2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) has a molecular weight of 1704.45 g/mol, XLogP of 21.74, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate;(8-ethyl-8-tetracyclo[5.2.1.13,5.02,6]undecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;bis((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 158407336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).