(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-methylpropanoate

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-methylpropanoate

(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-methylpropanoate (PubChem CID 20688298) has the molecular formula C29H40O6 and a molecular weight of 484.63 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-methylpropanoate.

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-methylpropanoate
PubChem CID	20688298
Molecular Formula	C29H40O6
Molecular Weight	484.63 g/mol
Exact Mass	484.28
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-methylpropanoate
SMILES	CC(=O)C1CC2CC1C(C1C(=O)OC(=O)C1CC(C)C(=O)OC1(C)CC3CC1C1CCCC31)C2C
InChI	InChI=1S/C29H40O6/c1-13(26(31)35-29(4)12-17-11-23(29)19-7-5-6-18(17)19)8-22-25(28(33)34-27(22)32)24-14(2)16-9-20(15(3)30)21(24)10-16/h13-14,16-25H,5-12H2,1-4H3
InChIKey	ASRRXMDRTLONRA-UHFFFAOYSA-N
XLogP	4.58
TPSA	86.74 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	4.58
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-methylpropanoate?

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-methylpropanoate (CID 20688298) 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-methylpropanoate.

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-methylpropanoate?

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-methylpropanoate is CC(=O)C1CC2CC1C(C1C(=O)OC(=O)C1CC(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-methylpropanoate?

The InChIKey is ASRRXMDRTLONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O6/c1-13(26(31)35-29(4)12-17-11-23(29)19-7-5-6-18(17)19)8-22-25(28(33)34-27(22)32)24-14(2)16-9-20(15(3)30)21(24)10-16/h13-14,16-25H,5-12H2,1-4H3.

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-methylpropanoate?

(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-methylpropanoate has a molecular weight of 484.63 g/mol, XLogP of 4.58, 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-methylpropanoate is sourced from PubChem (CID 20688298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).