(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane

C21H37ClO2Si — CID 91744089

IUPAC(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C21H37ClO2Si/c1-5-6-7-8-9-10-11-12-13-14-17-23-25(3,4)24-21-18-19(2)15-16-20(21)22/h15-16,18H,5-14,17H2,1-4H3
InChIKeyBLYQFUDCRLPIGF-UHFFFAOYSA-N
MW385.06 g/mol
LogP7.67
Rot. Bonds14

About (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane

(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane (PubChem CID 91744089) has the molecular formula C21H37ClO2Si and a molecular weight of 385.06 g/mol. Its IUPAC name is (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane.

Molecular Properties

Compound Name(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
PubChem CID91744089
Molecular FormulaC21H37ClO2Si
Molecular Weight385.06 g/mol
Exact Mass384.23
IUPAC Name(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
SMILESCCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1Cl
InChIInChI=1S/C21H37ClO2Si/c1-5-6-7-8-9-10-11-12-13-14-17-23-25(3,4)24-21-18-19(2)15-16-20(21)22/h15-16,18H,5-14,17H2,1-4H3
InChIKeyBLYQFUDCRLPIGF-UHFFFAOYSA-N
XLogP7.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.06
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
CID 91744864
(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
(2-chlorophenoxy)-[decoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91741168
(2-chlorophenoxy)-[dimethyl(undecoxy)silyl]oxy-dimethylsilane
CID 91741759
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
diethyl-pentadecoxy-(2,4,5-trichlorophenoxy)silane
CID 91745722
4-O-(2-chloro-5-methylphenyl) 1-O-tetradecyl butanedioate
CID 91701653
4-O-(2-chloro-5-methylphenyl) 1-O-hexyl butanedioate
CID 91702491
4-methyl-2-tetradecoxyphenol
CID 19014152
6-O-(2-chloro-5-methylphenyl) 1-O-octyl hexanedioate
CID 91713504
5-O-(2-chloro-5-methylphenyl) 1-O-tridecyl pentanedioate
CID 91708002
10-O-(2-chloro-5-methylphenyl) 1-O-hexyl decanedioate
CID 91729364

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane?
The IUPAC name of (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane (CID 91744089) is (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane.
What is the SMILES notation for (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane?
The canonical SMILES for (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane is CCCCCCCCCCCCO[Si](C)(C)Oc1cc(C)ccc1Cl.
What is the InChIKey of (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane?
The InChIKey is BLYQFUDCRLPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37ClO2Si/c1-5-6-7-8-9-10-11-12-13-14-17-23-25(3,4)24-21-18-19(2)15-16-20(21)22/h15-16,18H,5-14,17H2,1-4H3.
What are the key properties of (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane?
(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane has a molecular weight of 385.06 g/mol, XLogP of 7.67, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane is sourced from PubChem (CID 91744089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).