(3-dodecyl-2-methylphenoxy)-dimethylsilane

C21H38OSi — CID 91867655

IUPAC(3-dodecyl-2-methylphenoxy)-dimethylsilane
SMILESCCCCCCCCCCCCc1cccc(O[SiH](C)C)c1C
InChIInChI=1S/C21H38OSi/c1-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(19(20)2)22-23(3)4/h15,17-18,23H,5-14,16H2,1-4H3
InChIKeyAAGZPJAURIYEME-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.82
Rot. Bonds13

About (3-dodecyl-2-methylphenoxy)-dimethylsilane

(3-dodecyl-2-methylphenoxy)-dimethylsilane (PubChem CID 91867655) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is (3-dodecyl-2-methylphenoxy)-dimethylsilane.

Molecular Properties

Compound Name(3-dodecyl-2-methylphenoxy)-dimethylsilane
PubChem CID91867655
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name(3-dodecyl-2-methylphenoxy)-dimethylsilane
SMILESCCCCCCCCCCCCc1cccc(O[SiH](C)C)c1C
InChIInChI=1S/C21H38OSi/c1-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(19(20)2)22-23(3)4/h15,17-18,23H,5-14,16H2,1-4H3
InChIKeyAAGZPJAURIYEME-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.82
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-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
1,2-dimethyl-3-octadecylbenzene;methanamine;hydrobromide
CID 174529891
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1-methoxy-2-tetradecylbenzene
CID 69169530
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of (3-dodecyl-2-methylphenoxy)-dimethylsilane?
The IUPAC name of (3-dodecyl-2-methylphenoxy)-dimethylsilane (CID 91867655) is (3-dodecyl-2-methylphenoxy)-dimethylsilane.
What is the SMILES notation for (3-dodecyl-2-methylphenoxy)-dimethylsilane?
The canonical SMILES for (3-dodecyl-2-methylphenoxy)-dimethylsilane is CCCCCCCCCCCCc1cccc(O[SiH](C)C)c1C.
What is the InChIKey of (3-dodecyl-2-methylphenoxy)-dimethylsilane?
The InChIKey is AAGZPJAURIYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(19(20)2)22-23(3)4/h15,17-18,23H,5-14,16H2,1-4H3.
What are the key properties of (3-dodecyl-2-methylphenoxy)-dimethylsilane?
(3-dodecyl-2-methylphenoxy)-dimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dodecyl-2-methylphenoxy)-dimethylsilane is sourced from PubChem (CID 91867655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).