trimethoxy(12-phenyldodecyl)silane

C21H38O3Si — CID 54325157

IUPACtrimethoxy(12-phenyldodecyl)silane
SMILESCO[Si](CCCCCCCCCCCCc1ccccc1)(OC)OC
InChIInChI=1S/C21H38O3Si/c1-22-25(23-2,24-3)20-16-11-9-7-5-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,4-11,13,16-17,20H2,1-3H3
InChIKeySUJWJJUVRQMOCS-UHFFFAOYSA-N
MW366.62 g/mol
LogP6.01
Rot. Bonds16

About trimethoxy(12-phenyldodecyl)silane

trimethoxy(12-phenyldodecyl)silane (PubChem CID 54325157) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is trimethoxy(12-phenyldodecyl)silane.

Molecular Properties

Compound Nametrimethoxy(12-phenyldodecyl)silane
PubChem CID54325157
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametrimethoxy(12-phenyldodecyl)silane
SMILESCO[Si](CCCCCCCCCCCCc1ccccc1)(OC)OC
InChIInChI=1S/C21H38O3Si/c1-22-25(23-2,24-3)20-16-11-9-7-5-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,4-11,13,16-17,20H2,1-3H3
InChIKeySUJWJJUVRQMOCS-UHFFFAOYSA-N
XLogP6.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
CID 141324806
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
dihydroxy-methyl-(6-phenylhexyl)silane
CID 11586756
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
7-methoxyheptylbenzene
CID 54276867
trichloro(5-phenylpentyl)silane
CID 59465093
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
4-phenylbutylbenzene
CID 141301927
2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine
CID 57253205

Frequently Asked Questions

What is the IUPAC name of trimethoxy(12-phenyldodecyl)silane?
The IUPAC name of trimethoxy(12-phenyldodecyl)silane (CID 54325157) is trimethoxy(12-phenyldodecyl)silane.
What is the SMILES notation for trimethoxy(12-phenyldodecyl)silane?
The canonical SMILES for trimethoxy(12-phenyldodecyl)silane is CO[Si](CCCCCCCCCCCCc1ccccc1)(OC)OC.
What is the InChIKey of trimethoxy(12-phenyldodecyl)silane?
The InChIKey is SUJWJJUVRQMOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-22-25(23-2,24-3)20-16-11-9-7-5-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,4-11,13,16-17,20H2,1-3H3.
What are the key properties of trimethoxy(12-phenyldodecyl)silane?
trimethoxy(12-phenyldodecyl)silane has a molecular weight of 366.62 g/mol, XLogP of 6.01, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(12-phenyldodecyl)silane is sourced from PubChem (CID 54325157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).