CID 19080569

C31H44FSi — CID 19080569

IUPAC—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C31H44FSi/c1-3-5-6-20-33-21-18-27(19-22-33)25-12-14-28(15-13-25)30-17-16-29(23-31(30)32)26-10-8-24(7-4-2)9-11-26/h12-17,23-24,26-27H,3-11,18-22H2,1-2H3
InChIKeyCLNLGXWOEPBXET-UHFFFAOYSA-N
MW463.78 g/mol
LogP10.13
Rot. Bonds9

About CID 19080569

CID 19080569 (PubChem CID 19080569) has the molecular formula C31H44FSi and a molecular weight of 463.78 g/mol.

Molecular Properties

Compound NameCID 19080569
PubChem CID19080569
Molecular FormulaC31H44FSi
Molecular Weight463.78 g/mol
Exact Mass463.32
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C31H44FSi/c1-3-5-6-20-33-21-18-27(19-22-33)25-12-14-28(15-13-25)30-17-16-29(23-31(30)32)26-10-8-24(7-4-2)9-11-26/h12-17,23-24,26-27H,3-11,18-22H2,1-2H3
InChIKeyCLNLGXWOEPBXET-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.78
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

CID 19609422
CID 19609422
CID 19609431
CID 19609431
CID 19080554
CID 19080554
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
CID 23364846
CID 23364846
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
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
CID 23364743
CID 23364743
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919

Frequently Asked Questions

What is the IUPAC name of CID 19080569?
The IUPAC name of CID 19080569 (CID 19080569) is not available.
What is the SMILES notation for CID 19080569?
The canonical SMILES for CID 19080569 is CCCCC[Si]1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1.
What is the InChIKey of CID 19080569?
The InChIKey is CLNLGXWOEPBXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44FSi/c1-3-5-6-20-33-21-18-27(19-22-33)25-12-14-28(15-13-25)30-17-16-29(23-31(30)32)26-10-8-24(7-4-2)9-11-26/h12-17,23-24,26-27H,3-11,18-22H2,1-2H3.
What are the key properties of CID 19080569?
CID 19080569 has a molecular weight of 463.78 g/mol, XLogP of 10.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19080569 is sourced from PubChem (CID 19080569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).