CID 19080554

C29H40FSi — CID 19080554

IUPAC—
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCC)CC4)cc3)c(F)c2)CC1
InChIInChI=1S/C29H40FSi/c1-3-5-22-6-8-24(9-7-22)27-14-15-28(29(30)21-27)26-12-10-23(11-13-26)25-16-19-31(18-4-2)20-17-25/h10-15,21-22,24-25H,3-9,16-20H2,1-2H3
InChIKeyZSJOWUBIPQHVNG-UHFFFAOYSA-N
MW435.72 g/mol
LogP9.35
Rot. Bonds7

About CID 19080554

CID 19080554 (PubChem CID 19080554) has the molecular formula C29H40FSi and a molecular weight of 435.72 g/mol.

Molecular Properties

Compound NameCID 19080554
PubChem CID19080554
Molecular FormulaC29H40FSi
Molecular Weight435.72 g/mol
Exact Mass435.29
IUPAC Name—
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCC)CC4)cc3)c(F)c2)CC1
InChIInChI=1S/C29H40FSi/c1-3-5-22-6-8-24(9-7-22)27-14-15-28(29(30)21-27)26-12-10-23(11-13-26)25-16-19-31(18-4-2)20-17-25/h10-15,21-22,24-25H,3-9,16-20H2,1-2H3
InChIKeyZSJOWUBIPQHVNG-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.72
LogP ≤ 59.35
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

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2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 70305889
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367

Frequently Asked Questions

What is the IUPAC name of CID 19080554?
The IUPAC name of CID 19080554 (CID 19080554) is not available.
What is the SMILES notation for CID 19080554?
The canonical SMILES for CID 19080554 is CCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCC)CC4)cc3)c(F)c2)CC1.
What is the InChIKey of CID 19080554?
The InChIKey is ZSJOWUBIPQHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FSi/c1-3-5-22-6-8-24(9-7-22)27-14-15-28(29(30)21-27)26-12-10-23(11-13-26)25-16-19-31(18-4-2)20-17-25/h10-15,21-22,24-25H,3-9,16-20H2,1-2H3.
What are the key properties of CID 19080554?
CID 19080554 has a molecular weight of 435.72 g/mol, XLogP of 9.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19080554 is sourced from PubChem (CID 19080554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).