iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane

C22H27IOSn — CID 10554754

IUPACiodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane
SMILESCOC[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@H]1[Sn](I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H17O.2C6H5.HI.Sn/c1-10(7-11-2)6-8-3-4-9(10)5-8;2*1-2-4-6-5-3-1;;/h6,8-9H,3-5,7H2,1-2H3;2*1-5H;1H;/q;;;;+1/p-1/t8-,9+,10-;;;;/m0..../s1
InChIKeyKVEAVPBNNKKDQY-UNRASZFFSA-M
MW553.07 g/mol
LogP4.63
Rot. Bonds5

About iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane

iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane (PubChem CID 10554754) has the molecular formula C22H27IOSn and a molecular weight of 553.07 g/mol. Its IUPAC name is iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane.

Molecular Properties

Compound Nameiodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane
PubChem CID10554754
Molecular FormulaC22H27IOSn
Molecular Weight553.07 g/mol
Exact Mass554.01
IUPAC Nameiodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane
SMILESCOC[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@H]1[Sn](I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H17O.2C6H5.HI.Sn/c1-10(7-11-2)6-8-3-4-9(10)5-8;2*1-2-4-6-5-3-1;;/h6,8-9H,3-5,7H2,1-2H3;2*1-5H;1H;/q;;;;+1/p-1/t8-,9+,10-;;;;/m0..../s1
InChIKeyKVEAVPBNNKKDQY-UNRASZFFSA-M
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.07
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane 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 iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane?
The IUPAC name of iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane (CID 10554754) is iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane.
What is the SMILES notation for iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane?
The canonical SMILES for iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane is COC[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@H]1[Sn](I)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane?
The InChIKey is KVEAVPBNNKKDQY-UNRASZFFSA-M. The full InChI is InChI=1S/C10H17O.2C6H5.HI.Sn/c1-10(7-11-2)6-8-3-4-9(10)5-8;2*1-2-4-6-5-3-1;;/h6,8-9H,3-5,7H2,1-2H3;2*1-5H;1H;/q;;;;+1/p-1/t8-,9+,10-;;;;/m0..../s1.
What are the key properties of iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane?
iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane has a molecular weight of 553.07 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(1S,2R,3R,4R)-3-(methoxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-diphenylstannane is sourced from PubChem (CID 10554754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).