2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate

C101H174O10 — CID 161275212

About 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate

2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate (PubChem CID 161275212) has the molecular formula C101H174O10 and a molecular weight of 1548.49 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate
• PubChem CID: 161275212
• Molecular Formula: C101H174O10
• Molecular Weight: 1548.49 g/mol
• Exact Mass: 1547.31
• IUPAC Name: 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate
• SMILES: CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CCC(C)(C)OC(C)=O.CCC1(OC(C)=O)C2CC3CC(C2)CC1C3.CCC1(OC(C)=O)CC2CCC1C2.CCC1(OC(C)=O)CCCC1
• InChI: InChI=1S/C15H24O2.C14H22O2.C11H18O2.C9H16O2.5C9H16.C7H14O2/c1-10(16)17-14(2,3)15-7-11-4-12(8-15)6-13(5-11)9-15;1-3-14(16-9(2)15)12-5-10-4-11(7-12)8-13(14)6-10;1-3-11(13-8(2)12)7-9-4-5-10(11)6-9;1-3-9(11-8(2)10)6-4-5-7-9;5*1-6-7(2)9-4-3-8(6)5-9;1-5-7(3,4)9-6(2)8/h11-13H,4-9H2,1-3H3;10-13H,3-8H2,1-2H3;9-10H,3-7H2,1-2H3;3-7H2,1-2H3;5*6-9H,3-5H2,1-2H3;5H2,1-4H3
• InChIKey: VEIUDJIJUZGLEB-UHFFFAOYSA-N
• XLogP: 26.67
• TPSA: 131.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1548.49
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate (CID 161275212) is 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate is CC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CCC(C)(C)OC(C)=O.CCC1(OC(C)=O)C2CC3CC(C2)CC1C3.CCC1(OC(C)=O)CC2CCC1C2.CCC1(OC(C)=O)CCCC1.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate?

The InChIKey is VEIUDJIJUZGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C14H22O2.C11H18O2.C9H16O2.5C9H16.C7H14O2/c1-10(16)17-14(2,3)15-7-11-4-12(8-15)6-13(5-11)9-15;1-3-14(16-9(2)15)12-5-10-4-11(7-12)8-13(14)6-10;1-3-11(13-8(2)12)7-9-4-5-10(11)6-9;1-3-9(11-8(2)10)6-4-5-7-9;5*1-6-7(2)9-4-3-8(6)5-9;1-5-7(3,4)9-6(2)8/h11-13H,4-9H2,1-3H3;10-13H,3-8H2,1-2H3;9-10H,3-7H2,1-2H3;3-7H2,1-2H3;5*6-9H,3-5H2,1-2H3;5H2,1-4H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate?

2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate has a molecular weight of 1548.49 g/mol, XLogP of 26.67, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl acetate;pentakis(2,3-dimethylbicyclo[2.2.1]heptane);(2-ethyl-2-adamantyl) acetate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) acetate;(1-ethylcyclopentyl) acetate;2-methylbutan-2-yl acetate is sourced from PubChem (CID 161275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).