2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate

C24H42O2 — CID 59972661

IUPAC2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
SMILESCCC1CC(CC)C2C1C1CC2C(C)(CC(=O)OC(C)(C)C(C)C)C1C
InChIInChI=1S/C24H42O2/c1-9-16-11-17(10-2)22-19-12-18(21(16)22)15(5)24(19,8)13-20(25)26-23(6,7)14(3)4/h14-19,21-22H,9-13H2,1-8H3
InChIKeyOCSGQTINMGGDFO-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.33
Rot. Bonds6

About 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate

2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate (PubChem CID 59972661) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
PubChem CID59972661
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
SMILESCCC1CC(CC)C2C1C1CC2C(C)(CC(=O)OC(C)(C)C(C)C)C1C
InChIInChI=1S/C24H42O2/c1-9-16-11-17(10-2)22-19-12-18(21(16)22)15(5)24(19,8)13-20(25)26-23(6,7)14(3)4/h14-19,21-22H,9-13H2,1-8H3
InChIKeyOCSGQTINMGGDFO-UHFFFAOYSA-N
XLogP6.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate (CID 59972661) is 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate is CCC1CC(CC)C2C1C1CC2C(C)(CC(=O)OC(C)(C)C(C)C)C1C.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate?
The InChIKey is OCSGQTINMGGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-9-16-11-17(10-2)22-19-12-18(21(16)22)15(5)24(19,8)13-20(25)26-23(6,7)14(3)4/h14-19,21-22H,9-13H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate?
2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate has a molecular weight of 362.60 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate is sourced from PubChem (CID 59972661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).