1-(4-iodophenyl)-1-methyl-4-pentylsilinane

C17H27ISi — CID 54321062

IUPAC1-(4-iodophenyl)-1-methyl-4-pentylsilinane
SMILESCCCCCC1CC[Si](C)(c2ccc(I)cc2)CC1
InChIInChI=1S/C17H27ISi/c1-3-4-5-6-15-11-13-19(2,14-12-15)17-9-7-16(18)8-10-17/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeySRRXPCOTGKAGHG-UHFFFAOYSA-N
MW386.39 g/mol
LogP5.57
Rot. Bonds5

About 1-(4-iodophenyl)-1-methyl-4-pentylsilinane

1-(4-iodophenyl)-1-methyl-4-pentylsilinane (PubChem CID 54321062) has the molecular formula C17H27ISi and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-(4-iodophenyl)-1-methyl-4-pentylsilinane.

Molecular Properties

Compound Name1-(4-iodophenyl)-1-methyl-4-pentylsilinane
PubChem CID54321062
Molecular FormulaC17H27ISi
Molecular Weight386.39 g/mol
Exact Mass386.09
IUPAC Name1-(4-iodophenyl)-1-methyl-4-pentylsilinane
SMILESCCCCCC1CC[Si](C)(c2ccc(I)cc2)CC1
InChIInChI=1S/C17H27ISi/c1-3-4-5-6-15-11-13-19(2,14-12-15)17-9-7-16(18)8-10-17/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeySRRXPCOTGKAGHG-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[(4R,6R)-2,2,6-trideuterio-4-pentylcyclohexyl]benzene
CID 54568264
(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
hexane;pentylcyclopropane
CID 159592467
1-methyl-4-propyl-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 22875778
1-iodo-4-[4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 54022036
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-1-methyl-4-pentylsilinane?
The IUPAC name of 1-(4-iodophenyl)-1-methyl-4-pentylsilinane (CID 54321062) is 1-(4-iodophenyl)-1-methyl-4-pentylsilinane.
What is the SMILES notation for 1-(4-iodophenyl)-1-methyl-4-pentylsilinane?
The canonical SMILES for 1-(4-iodophenyl)-1-methyl-4-pentylsilinane is CCCCCC1CC[Si](C)(c2ccc(I)cc2)CC1.
What is the InChIKey of 1-(4-iodophenyl)-1-methyl-4-pentylsilinane?
The InChIKey is SRRXPCOTGKAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ISi/c1-3-4-5-6-15-11-13-19(2,14-12-15)17-9-7-16(18)8-10-17/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-1-methyl-4-pentylsilinane?
1-(4-iodophenyl)-1-methyl-4-pentylsilinane has a molecular weight of 386.39 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-1-methyl-4-pentylsilinane is sourced from PubChem (CID 54321062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).