1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane

C32H56OSi2 — CID 173283482

IUPAC1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
SMILESCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCC)cc2)cc1.[SiH3]CC[SiH3]
InChIInChI=1S/C30H46O.C2H10Si2/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;3-1-2-4/h19-26H,3-18H2,1-2H3;1-2H2,3-4H3
InChIKeyGGRPCMGTCHHOEE-UHFFFAOYSA-N
MW512.97 g/mol
LogP8.62
Rot. Bonds19

About 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane

1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane (PubChem CID 173283482) has the molecular formula C32H56OSi2 and a molecular weight of 512.97 g/mol. Its IUPAC name is 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane.

Molecular Properties

Compound Name1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
PubChem CID173283482
Molecular FormulaC32H56OSi2
Molecular Weight512.97 g/mol
Exact Mass512.39
IUPAC Name1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
SMILESCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCC)cc2)cc1.[SiH3]CC[SiH3]
InChIInChI=1S/C30H46O.C2H10Si2/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;3-1-2-4/h19-26H,3-18H2,1-2H3;1-2H2,3-4H3
InChIKeyGGRPCMGTCHHOEE-UHFFFAOYSA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.97
LogP ≤ 58.62
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

1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
4-(4-dodecylphenoxy)phenol
CID 134258509
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
1-butyl-4-nonylbenzene
CID 59545302
CID 59959489
CID 59959489
1-hexoxy-4-pentylbenzene
CID 54277450
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
1-[3,3,4,4,5,5-hexafluoro-2-(4-nonylphenoxy)cyclopenten-1-yl]oxy-4-nonylbenzene
CID 14618033

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane?
The IUPAC name of 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane (CID 173283482) is 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane.
What is the SMILES notation for 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane?
The canonical SMILES for 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane is CCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCC)cc2)cc1.[SiH3]CC[SiH3].
What is the InChIKey of 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane?
The InChIKey is GGRPCMGTCHHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O.C2H10Si2/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;3-1-2-4/h19-26H,3-18H2,1-2H3;1-2H2,3-4H3.
What are the key properties of 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane?
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane has a molecular weight of 512.97 g/mol, XLogP of 8.62, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane is sourced from PubChem (CID 173283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).