CID 20726293

C29H35F2OSi — CID 20726293

IUPAC—
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F
InChIInChI=1S/C29H35F2OSi/c1-4-5-6-7-8-9-20-32-27-19-18-26(28(30)29(27)31)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-33(2)3/h10-19H,4-9,20-21H2,1-3H3
InChIKeyMMYRHISDTZINHH-UHFFFAOYSA-N
MW465.68 g/mol
LogP8.87
Rot. Bonds12

About CID 20726293

CID 20726293 (PubChem CID 20726293) has the molecular formula C29H35F2OSi and a molecular weight of 465.68 g/mol.

Molecular Properties

Compound NameCID 20726293
PubChem CID20726293
Molecular FormulaC29H35F2OSi
Molecular Weight465.68 g/mol
Exact Mass465.24
IUPAC Name—
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F
InChIInChI=1S/C29H35F2OSi/c1-4-5-6-7-8-9-20-32-27-19-18-26(28(30)29(27)31)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-33(2)3/h10-19H,4-9,20-21H2,1-3H3
InChIKeyMMYRHISDTZINHH-UHFFFAOYSA-N
XLogP8.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 58.87
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

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1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288
CID 20739222
CID 20739222
1-[4-(4-ethylphenyl)-3-fluorophenyl]-2,3-difluoro-4-hexoxybenzene
CID 121369845
1-(4-but-3-enylphenyl)-2,3-difluoro-4-pentoxybenzene
CID 20621671
2,3-difluoro-1-hept-6-enoxy-4-[4-(4-heptylphenyl)phenyl]benzene
CID 102170800
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-pentoxybenzene
CID 121369867
1-[4-[4-(6-bromohexoxy)phenyl]phenyl]-2,3-difluoro-4-octoxybenzene
CID 71442474
2,3-difluoro-1-[3-fluoro-4-(4-prop-2-enylphenyl)phenyl]-4-heptoxybenzene
CID 20621635
1-decoxy-2,3-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 118374115
2,3-difluoro-1-octoxy-4-[4-[(4-pentylcyclohexyl)oxymethyl]phenyl]benzene
CID 20665383

Frequently Asked Questions

What is the IUPAC name of CID 20726293?
The IUPAC name of CID 20726293 (CID 20726293) is not available.
What is the SMILES notation for CID 20726293?
The canonical SMILES for CID 20726293 is CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C[Si](C)C)cc3)cc2)c(F)c1F.
What is the InChIKey of CID 20726293?
The InChIKey is MMYRHISDTZINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2OSi/c1-4-5-6-7-8-9-20-32-27-19-18-26(28(30)29(27)31)25-16-14-24(15-17-25)23-12-10-22(11-13-23)21-33(2)3/h10-19H,4-9,20-21H2,1-3H3.
What are the key properties of CID 20726293?
CID 20726293 has a molecular weight of 465.68 g/mol, XLogP of 8.87, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20726293 is sourced from PubChem (CID 20726293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).