4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane

C33H56F2OSi — CID 173310554

IUPAC4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
SMILESCCCCCCCC1CCC([SiH]2CCC(c3cc(F)c(OC(C)CCCCCCC)c(F)c3)CC2)CC1
InChIInChI=1S/C33H56F2OSi/c1-4-6-8-10-12-14-26(3)36-33-31(34)24-29(25-32(33)35)28-20-22-37(23-21-28)30-18-16-27(17-19-30)15-13-11-9-7-5-2/h24-28,30,37H,4-23H2,1-3H3
InChIKeyAVPWQJOZNYWWIY-UHFFFAOYSA-N
MW534.89 g/mol
LogP11.12
Rot. Bonds16

About 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane

4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane (PubChem CID 173310554) has the molecular formula C33H56F2OSi and a molecular weight of 534.89 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane.

Molecular Properties

Compound Name4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
PubChem CID173310554
Molecular FormulaC33H56F2OSi
Molecular Weight534.89 g/mol
Exact Mass534.41
IUPAC Name4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
SMILESCCCCCCCC1CCC([SiH]2CCC(c3cc(F)c(OC(C)CCCCCCC)c(F)c3)CC2)CC1
InChIInChI=1S/C33H56F2OSi/c1-4-6-8-10-12-14-26(3)36-33-31(34)24-29(25-32(33)35)28-20-22-37(23-21-28)30-18-16-27(17-19-30)15-13-11-9-7-5-2/h24-28,30,37H,4-23H2,1-3H3
InChIKeyAVPWQJOZNYWWIY-UHFFFAOYSA-N
XLogP11.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.89
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683472
1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
CID 143772778
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843
4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
CID 173311068
3-[4-(difluoromethoxy)-3,5-difluorophenyl]-9-pentyl-6-silaspiro[5.5]undecane
CID 139675571
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-heptylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837246
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl] acetate
CID 54042574
5-(4-butylcyclohexyl)-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-(4-pentylcyclohexyl)benzene;1,2,3-trifluoro-5-(4-propylcyclohexyl)benzene
CID 161202701
4-(4-chlorophenyl)-1-[4-(4,4-difluorobutyl)cyclohexyl]silinane
CID 70258911
2-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
CID 89280295
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane?
The IUPAC name of 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane (CID 173310554) is 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane.
What is the SMILES notation for 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane?
The canonical SMILES for 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane is CCCCCCCC1CCC([SiH]2CCC(c3cc(F)c(OC(C)CCCCCCC)c(F)c3)CC2)CC1.
What is the InChIKey of 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane?
The InChIKey is AVPWQJOZNYWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56F2OSi/c1-4-6-8-10-12-14-26(3)36-33-31(34)24-29(25-32(33)35)28-20-22-37(23-21-28)30-18-16-27(17-19-30)15-13-11-9-7-5-2/h24-28,30,37H,4-23H2,1-3H3.
What are the key properties of 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane?
4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane has a molecular weight of 534.89 g/mol, XLogP of 11.12, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane is sourced from PubChem (CID 173310554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).