CID 19609431

C33H48FSi — CID 19609431

IUPAC—
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCCCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C33H48FSi/c1-3-5-7-9-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(25-33(32)34)29-20-23-35(24-21-29)22-8-6-4-2/h14-19,25-27,29H,3-13,20-24H2,1-2H3
InChIKeySIIHXHJYMKPEQI-UHFFFAOYSA-N
MW491.83 g/mol
LogP10.91
Rot. Bonds11

About CID 19609431

CID 19609431 (PubChem CID 19609431) has the molecular formula C33H48FSi and a molecular weight of 491.83 g/mol.

Molecular Properties

Compound NameCID 19609431
PubChem CID19609431
Molecular FormulaC33H48FSi
Molecular Weight491.83 g/mol
Exact Mass491.35
IUPAC Name—
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCCCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C33H48FSi/c1-3-5-7-9-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(25-33(32)34)29-20-23-35(24-21-29)22-8-6-4-2/h14-19,25-27,29H,3-13,20-24H2,1-2H3
InChIKeySIIHXHJYMKPEQI-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.83
LogP ≤ 510.91
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

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CID 19609422
CID 19080569
CID 19080569
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
CID 19080554
CID 19080554
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
CID 22913817
CID 22913817
CID 23364846
CID 23364846
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
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
(2R,4aR,8aR)-2-[3-fluoro-4-(4-fluorophenyl)phenyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809228

Frequently Asked Questions

What is the IUPAC name of CID 19609431?
The IUPAC name of CID 19609431 (CID 19609431) is not available.
What is the SMILES notation for CID 19609431?
The canonical SMILES for CID 19609431 is CCCCCC1CCC(c2ccc(-c3ccc(C4CC[Si](CCCCC)CC4)cc3F)cc2)CC1.
What is the InChIKey of CID 19609431?
The InChIKey is SIIHXHJYMKPEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48FSi/c1-3-5-7-9-26-10-12-27(13-11-26)28-14-16-30(17-15-28)32-19-18-31(25-33(32)34)29-20-23-35(24-21-29)22-8-6-4-2/h14-19,25-27,29H,3-13,20-24H2,1-2H3.
What are the key properties of CID 19609431?
CID 19609431 has a molecular weight of 491.83 g/mol, XLogP of 10.91, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19609431 is sourced from PubChem (CID 19609431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).