CID 23364828

C31H41F4OSi — CID 23364828

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(CCc3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C31H41F4OSi/c1-2-3-4-17-37-18-15-26(16-19-37)24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)27-20-28(32)30(29(33)21-27)36-31(34)35/h9-10,13-14,20-22,24,26,31H,2-8,11-12,15-19H2,1H3
InChIKeyMRBCBRCWAVUBNS-UHFFFAOYSA-N
MW533.75 g/mol
LogP10.07
Rot. Bonds11

About CID 23364828

CID 23364828 (PubChem CID 23364828) has the molecular formula C31H41F4OSi and a molecular weight of 533.75 g/mol.

Molecular Properties

Compound NameCID 23364828
PubChem CID23364828
Molecular FormulaC31H41F4OSi
Molecular Weight533.75 g/mol
Exact Mass533.29
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(CCc3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C31H41F4OSi/c1-2-3-4-17-37-18-15-26(16-19-37)24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)27-20-28(32)30(29(33)21-27)36-31(34)35/h9-10,13-14,20-22,24,26,31H,2-8,11-12,15-19H2,1H3
InChIKeyMRBCBRCWAVUBNS-UHFFFAOYSA-N
XLogP10.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.75
LogP ≤ 510.07
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

CID 23364777
CID 23364777
CID 19419990
CID 19419990
CID 23364825
CID 23364825
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-(4-iodocyclohexyl)ethyl]phenyl]benzene
CID 162547419
CID 23364708
CID 23364708
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
CID 22867214
CID 23367412
CID 23367412
CID 22902598
CID 22902598
CID 22913746
CID 22913746
2-[2-[2-[2,6-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]ethoxy]ethyl]-1,3-difluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 140976280

Frequently Asked Questions

What is the IUPAC name of CID 23364828?
The IUPAC name of CID 23364828 (CID 23364828) is not available.
What is the SMILES notation for CID 23364828?
The canonical SMILES for CID 23364828 is CCCCC[Si]1CCC(C2CCC(CCc3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of CID 23364828?
The InChIKey is MRBCBRCWAVUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F4OSi/c1-2-3-4-17-37-18-15-26(16-19-37)24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)27-20-28(32)30(29(33)21-27)36-31(34)35/h9-10,13-14,20-22,24,26,31H,2-8,11-12,15-19H2,1H3.
What are the key properties of CID 23364828?
CID 23364828 has a molecular weight of 533.75 g/mol, XLogP of 10.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23364828 is sourced from PubChem (CID 23364828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).