3-iodohexyl-dimethyl-phenylstannane

C14H23ISn — CID 177463810

IUPAC3-iodohexyl-dimethyl-phenylstannane
SMILESCCCC(I)CC[Sn](C)(C)c1ccccc1
InChIInChI=1S/C6H12I.C6H5.2CH3.Sn/c1-3-5-6(7)4-2;1-2-4-6-5-3-1;;;/h6H,2-5H2,1H3;1-5H;2*1H3;
InChIKeyNOJKAHDOOQWESI-UHFFFAOYSA-N
MW436.95 g/mol
LogP4.60
Rot. Bonds6

About 3-iodohexyl-dimethyl-phenylstannane

3-iodohexyl-dimethyl-phenylstannane (PubChem CID 177463810) has the molecular formula C14H23ISn and a molecular weight of 436.95 g/mol. Its IUPAC name is 3-iodohexyl-dimethyl-phenylstannane.

Molecular Properties

Compound Name3-iodohexyl-dimethyl-phenylstannane
PubChem CID177463810
Molecular FormulaC14H23ISn
Molecular Weight436.95 g/mol
Exact Mass437.99
IUPAC Name3-iodohexyl-dimethyl-phenylstannane
SMILESCCCC(I)CC[Sn](C)(C)c1ccccc1
InChIInChI=1S/C6H12I.C6H5.2CH3.Sn/c1-3-5-6(7)4-2;1-2-4-6-5-3-1;;;/h6H,2-5H2,1H3;1-5H;2*1H3;
InChIKeyNOJKAHDOOQWESI-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-iodo-2-methylpentyl)benzene
CID 174742530
chloro-methyl-phenyl-propylstannane
CID 67919179
(4S)-4-iodooctane
CID 97300695
1-iodobutyl-oxo-phenylphosphanium
CID 163843662
pentan-2-ylbenzene
CID 17627
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-phenylbutylsilane
CID 173332415
CID 19876403
CID 19876403
2-iodobutylbenzene
CID 11196235
3-iodo-1-phenylhexan-2-one
CID 10990286
N-(1-phenylbutyl)ethanimine
CID 139668089
(2-iodo-1-pentan-2-yloxyethyl)benzene
CID 102984475

Frequently Asked Questions

What is the IUPAC name of 3-iodohexyl-dimethyl-phenylstannane?
The IUPAC name of 3-iodohexyl-dimethyl-phenylstannane (CID 177463810) is 3-iodohexyl-dimethyl-phenylstannane.
What is the SMILES notation for 3-iodohexyl-dimethyl-phenylstannane?
The canonical SMILES for 3-iodohexyl-dimethyl-phenylstannane is CCCC(I)CC[Sn](C)(C)c1ccccc1.
What is the InChIKey of 3-iodohexyl-dimethyl-phenylstannane?
The InChIKey is NOJKAHDOOQWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I.C6H5.2CH3.Sn/c1-3-5-6(7)4-2;1-2-4-6-5-3-1;;;/h6H,2-5H2,1H3;1-5H;2*1H3;.
What are the key properties of 3-iodohexyl-dimethyl-phenylstannane?
3-iodohexyl-dimethyl-phenylstannane has a molecular weight of 436.95 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodohexyl-dimethyl-phenylstannane is sourced from PubChem (CID 177463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).