CID 20632338

C28H36FSi — CID 20632338

IUPAC—
SMILESCc1ccc(-c2ccc(CCC3CCC(C4CCC(C[Si])CC4)CC3)cc2)cc1F
InChIInChI=1S/C28H36FSi/c1-20-2-11-27(18-28(20)29)26-14-7-22(8-15-26)4-3-21-5-12-24(13-6-21)25-16-9-23(19-30)10-17-25/h2,7-8,11,14-15,18,21,23-25H,3-6,9-10,12-13,16-17,19H2,1H3
InChIKeyNZLPNUWTJWWEQM-UHFFFAOYSA-N
MW419.68 g/mol
LogP7.93
Rot. Bonds6

About CID 20632338

CID 20632338 (PubChem CID 20632338) has the molecular formula C28H36FSi and a molecular weight of 419.68 g/mol.

Molecular Properties

Compound NameCID 20632338
PubChem CID20632338
Molecular FormulaC28H36FSi
Molecular Weight419.68 g/mol
Exact Mass419.26
IUPAC Name—
SMILESCc1ccc(-c2ccc(CCC3CCC(C4CCC(C[Si])CC4)CC3)cc2)cc1F
InChIInChI=1S/C28H36FSi/c1-20-2-11-27(18-28(20)29)26-14-7-22(8-15-26)4-3-21-5-12-24(13-6-21)25-16-9-23(19-30)10-17-25/h2,7-8,11,14-15,18,21,23-25H,3-6,9-10,12-13,16-17,19H2,1H3
InChIKeyNZLPNUWTJWWEQM-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.68
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 90180053
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159461545
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-2-fluoro-1-methylbenzene
CID 59545823
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537

Frequently Asked Questions

What is the IUPAC name of CID 20632338?
The IUPAC name of CID 20632338 (CID 20632338) is not available.
What is the SMILES notation for CID 20632338?
The canonical SMILES for CID 20632338 is Cc1ccc(-c2ccc(CCC3CCC(C4CCC(C[Si])CC4)CC3)cc2)cc1F.
What is the InChIKey of CID 20632338?
The InChIKey is NZLPNUWTJWWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FSi/c1-20-2-11-27(18-28(20)29)26-14-7-22(8-15-26)4-3-21-5-12-24(13-6-21)25-16-9-23(19-30)10-17-25/h2,7-8,11,14-15,18,21,23-25H,3-6,9-10,12-13,16-17,19H2,1H3.
What are the key properties of CID 20632338?
CID 20632338 has a molecular weight of 419.68 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20632338 is sourced from PubChem (CID 20632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).