CID 19039059

C20H31F2OSi — CID 19039059

IUPAC—
SMILESCCCCC[Si]1CCC(COc2ccc(CCC)c(F)c2F)CC1
InChIInChI=1S/C20H31F2OSi/c1-3-5-6-12-24-13-10-16(11-14-24)15-23-18-9-8-17(7-4-2)19(21)20(18)22/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyYYYJKWMSMDKTLI-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.39
Rot. Bonds9

About CID 19039059

CID 19039059 (PubChem CID 19039059) has the molecular formula C20H31F2OSi and a molecular weight of 353.55 g/mol.

Molecular Properties

Compound NameCID 19039059
PubChem CID19039059
Molecular FormulaC20H31F2OSi
Molecular Weight353.55 g/mol
Exact Mass353.21
IUPAC Name—
SMILESCCCCC[Si]1CCC(COc2ccc(CCC)c(F)c2F)CC1
InChIInChI=1S/C20H31F2OSi/c1-3-5-6-12-24-13-10-16(11-14-24)15-23-18-9-8-17(7-4-2)19(21)20(18)22/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyYYYJKWMSMDKTLI-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.39
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

1-butyl-4-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-2,3-difluorobenzene
CID 58141449
1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
1,2,8-trifluoro-7-[(4-pentylcyclohexyl)methoxy]-3-propylbiphenylene
CID 134465089
1-butoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene
CID 158791699
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
CID 19039120
CID 19039120
CID 19609427
CID 19609427
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372

Frequently Asked Questions

What is the IUPAC name of CID 19039059?
The IUPAC name of CID 19039059 (CID 19039059) is not available.
What is the SMILES notation for CID 19039059?
The canonical SMILES for CID 19039059 is CCCCC[Si]1CCC(COc2ccc(CCC)c(F)c2F)CC1.
What is the InChIKey of CID 19039059?
The InChIKey is YYYJKWMSMDKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2OSi/c1-3-5-6-12-24-13-10-16(11-14-24)15-23-18-9-8-17(7-4-2)19(21)20(18)22/h8-9,16H,3-7,10-15H2,1-2H3.
What are the key properties of CID 19039059?
CID 19039059 has a molecular weight of 353.55 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19039059 is sourced from PubChem (CID 19039059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).