(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

About (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (PubChem CID 20688296) has the molecular formula C30H42O6 and a molecular weight of 498.66 g/mol. Its IUPAC name is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Name	(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
PubChem CID	20688296
Molecular Formula	C30H42O6
Molecular Weight	498.66 g/mol
Exact Mass	498.30
IUPAC Name	(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
SMILES	CC(=O)C1CC2CC1C(C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC1(C)CC3CC1C1CCCC31)C2C
InChI	InChI=1S/C30H42O6/c1-14-16-9-20(15(2)31)21(10-16)24(14)25-22(26(32)35-27(25)33)13-29(3,4)28(34)36-30(5)12-17-11-23(30)19-8-6-7-18(17)19/h14,16-25H,6-13H2,1-5H3
InChIKey	DMWPZJZLSIAYPT-UHFFFAOYSA-N
XLogP	4.97
TPSA	86.74 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.66
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (CID 20688296) is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The canonical SMILES for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is CC(=O)C1CC2CC1C(C1C(=O)OC(=O)C1CC(C)(C)C(=O)OC1(C)CC3CC1C1CCCC31)C2C.

What is the InChIKey of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The InChIKey is DMWPZJZLSIAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O6/c1-14-16-9-20(15(2)31)21(10-16)24(14)25-22(26(32)35-27(25)33)13-29(3,4)28(34)36-30(5)12-17-11-23(30)19-8-6-7-18(17)19/h14,16-25H,6-13H2,1-5H3.

What are the key properties of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate has a molecular weight of 498.66 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 3-[4-(6-acetyl-3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 20688296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).