3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane

C17H27IO2Si — CID 123422730

IUPAC3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane
SMILESCCOc1ccc(C2CCC(OCCC[SiH2]I)CC2)cc1
InChIInChI=1S/C17H27IO2Si/c1-2-19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-3-13-21-18/h4-5,8-9,15,17H,2-3,6-7,10-13,21H2,1H3
InChIKeyXBMYWGVCYQNVSY-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.46
Rot. Bonds8

About 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane

3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane (PubChem CID 123422730) has the molecular formula C17H27IO2Si and a molecular weight of 418.39 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane
PubChem CID123422730
Molecular FormulaC17H27IO2Si
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC Name3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane
SMILESCCOc1ccc(C2CCC(OCCC[SiH2]I)CC2)cc1
InChIInChI=1S/C17H27IO2Si/c1-2-19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-3-13-21-18/h4-5,8-9,15,17H,2-3,6-7,10-13,21H2,1H3
InChIKeyXBMYWGVCYQNVSY-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-heptylphenyl)cyclohexyl]oxypropyl-iodosilane
CID 123815090
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
4-(4-ethoxyphenyl)piperidine
CID 21495191
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
CID 22857790
4-[4-[4-(4-butoxycyclohexyl)phenyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486503
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
4-[4-(4-decoxycyclohexyl)phenyl]benzonitrile
CID 21318459
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-cyclohexyl-4-heptoxybenzene
CID 56628106
tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
CID 18612118

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane?
The IUPAC name of 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane (CID 123422730) is 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane is CCOc1ccc(C2CCC(OCCC[SiH2]I)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane?
The InChIKey is XBMYWGVCYQNVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27IO2Si/c1-2-19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-12-3-13-21-18/h4-5,8-9,15,17H,2-3,6-7,10-13,21H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane?
3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane has a molecular weight of 418.39 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)cyclohexyl]oxypropyl-iodosilane is sourced from PubChem (CID 123422730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).