(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate

C22H38O2 — CID 123611372

IUPAC(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)C(C)(CC(C)C)C(=O)OC1(C)C2CC(C)CC3CC1C32
InChIInChI=1S/C22H38O2/c1-8-15(5)21(6,12-13(2)3)20(23)24-22(7)17-10-14(4)9-16-11-18(22)19(16)17/h13-19H,8-12H2,1-7H3
InChIKeyFUOXICSMJRXIJX-UHFFFAOYSA-N
MW334.54 g/mol
LogP5.70
Rot. Bonds6

About (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate

(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate (PubChem CID 123611372) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Name(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate
PubChem CID123611372
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)C(C)(CC(C)C)C(=O)OC1(C)C2CC(C)CC3CC1C32
InChIInChI=1S/C22H38O2/c1-8-15(5)21(6,12-13(2)3)20(23)24-22(7)17-10-14(4)9-16-11-18(22)19(16)17/h13-19H,8-12H2,1-7H3
InChIKeyFUOXICSMJRXIJX-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate (CID 123611372) is (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate is CCC(C)C(C)(CC(C)C)C(=O)OC1(C)C2CC(C)CC3CC1C32.
What is the InChIKey of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate?
The InChIKey is FUOXICSMJRXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-8-15(5)21(6,12-13(2)3)20(23)24-22(7)17-10-14(4)9-16-11-18(22)19(16)17/h13-19H,8-12H2,1-7H3.
What are the key properties of (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate?
(2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate has a molecular weight of 334.54 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-2-tricyclo[3.3.1.03,9]nonanyl) 2,3-dimethyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 123611372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).