diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate

C35H76I2O7V — CID 158341750

IUPACdiiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
SMILESC.C.C.C.C.C.C.C.CC.COC(=O)C(C)(C)C1C(=O)OC(=O)C1C1C2CC(C(C)C2C)C1C1OC(OC)CCC1C.I[V]I
InChIInChI=1S/C25H38O7.C2H6.8CH4.2HI.V/c1-11-8-9-16(29-6)31-21(11)18-15-10-14(12(2)13(15)3)17(18)19-20(23(27)32-22(19)26)25(4,5)24(28)30-7;1-2;;;;;;;;;;;/h11-21H,8-10H2,1-7H3;1-2H3;8*1H4;2*1H;/q;;;;;;;;;;;;+2/p-2
InChIKeyGRGBZHRNTIATGF-UHFFFAOYSA-L
MW913.74 g/mol
LogP11.33
Rot. Bonds5

About diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate

diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate (PubChem CID 158341750) has the molecular formula C35H76I2O7V and a molecular weight of 913.74 g/mol. Its IUPAC name is diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namediiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
PubChem CID158341750
Molecular FormulaC35H76I2O7V
Molecular Weight913.74 g/mol
Exact Mass913.31
IUPAC Namediiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
SMILESC.C.C.C.C.C.C.C.CC.COC(=O)C(C)(C)C1C(=O)OC(=O)C1C1C2CC(C(C)C2C)C1C1OC(OC)CCC1C.I[V]I
InChIInChI=1S/C25H38O7.C2H6.8CH4.2HI.V/c1-11-8-9-16(29-6)31-21(11)18-15-10-14(12(2)13(15)3)17(18)19-20(23(27)32-22(19)26)25(4,5)24(28)30-7;1-2;;;;;;;;;;;/h11-21H,8-10H2,1-7H3;1-2H3;8*1H4;2*1H;/q;;;;;;;;;;;;+2/p-2
InChIKeyGRGBZHRNTIATGF-UHFFFAOYSA-L
XLogP11.33
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.74
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

(2-Methyl-2-adamantyl) 2-[4-[3-(6-ethoxy-3-methyloxan-2-yl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
CID 20611896
(2-Methyl-2-adamantyl) 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
CID 20611897
Methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
CID 20695919
3-(6-Ethoxy-3-methyloxan-2-yl)-4-[4-(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-oxobutan-2-yl]oxolane-2,5-dione
CID 20783106
2-Adamantyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
CID 21049766
Methyl 2-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2-methyl-3-(3-methyl-5-oxooxolan-2-yl)propanoate
CID 22982293
6-[4-[3-[(6-Methoxyoxan-2-yl)methoxy]-2,2-dimethyl-3-oxopropyl]-2,5-dioxooxolan-3-yl]-5-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 23514786
2,2-Dimethylpropoxymethyl 3,5-diethyl-8-methyl-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
CID 57783353
Bis(methoxymethyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 57783371
8-O-(2,2-dimethylpropoxymethyl) 9-O-(methoxymethyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 57783391
Ethane;methyl 2-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2-methyl-3-(3-methyl-5-oxooxolan-2-yl)propanoate
CID 90744481
Ethane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate
CID 90983265

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate?
The IUPAC name of diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate (CID 158341750) is diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate.
What is the SMILES notation for diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate?
The canonical SMILES for diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate is C.C.C.C.C.C.C.C.CC.COC(=O)C(C)(C)C1C(=O)OC(=O)C1C1C2CC(C(C)C2C)C1C1OC(OC)CCC1C.I[V]I.
What is the InChIKey of diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate?
The InChIKey is GRGBZHRNTIATGF-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H38O7.C2H6.8CH4.2HI.V/c1-11-8-9-16(29-6)31-21(11)18-15-10-14(12(2)13(15)3)17(18)19-20(23(27)32-22(19)26)25(4,5)24(28)30-7;1-2;;;;;;;;;;;/h11-21H,8-10H2,1-7H3;1-2H3;8*1H4;2*1H;/q;;;;;;;;;;;;+2/p-2.
What are the key properties of diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate?
diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate has a molecular weight of 913.74 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;ethane;methane;methyl 2-[4-[3-(6-methoxy-3-methyloxan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2-methylpropanoate is sourced from PubChem (CID 158341750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).