(2-chlorophenoxy)-dimethyl-tetradecoxysilane

C22H39ClO2Si — CID 91744415

IUPAC(2-chlorophenoxy)-dimethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1Cl
InChIInChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-24-26(2,3)25-22-19-16-15-18-21(22)23/h15-16,18-19H,4-14,17,20H2,1-3H3
InChIKeyJQHMHGSWLVYLDP-UHFFFAOYSA-N
MW399.09 g/mol
LogP8.14
Rot. Bonds16

About (2-chlorophenoxy)-dimethyl-tetradecoxysilane

(2-chlorophenoxy)-dimethyl-tetradecoxysilane (PubChem CID 91744415) has the molecular formula C22H39ClO2Si and a molecular weight of 399.09 g/mol. Its IUPAC name is (2-chlorophenoxy)-dimethyl-tetradecoxysilane.

Molecular Properties

Compound Name(2-chlorophenoxy)-dimethyl-tetradecoxysilane
PubChem CID91744415
Molecular FormulaC22H39ClO2Si
Molecular Weight399.09 g/mol
Exact Mass398.24
IUPAC Name(2-chlorophenoxy)-dimethyl-tetradecoxysilane
SMILESCCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1Cl
InChIInChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-24-26(2,3)25-22-19-16-15-18-21(22)23/h15-16,18-19H,4-14,17,20H2,1-3H3
InChIKeyJQHMHGSWLVYLDP-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.09
LogP ≤ 58.14
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-chlorophenoxy)-[decoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91741168
(2-chlorophenoxy)-[dimethyl(undecoxy)silyl]oxy-dimethylsilane
CID 91741759
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
dodecoxy-(2-fluorophenoxy)-dimethylsilane
CID 91743647
(2-chloro-5-methylphenoxy)-dodecoxy-dimethylsilane
CID 91744089
dimethyl-octoxy-(2-phenylphenoxy)silane
CID 91734404
dodecoxy-dimethyl-(2-phenylphenoxy)silane
CID 91744976
(2,6-dimethoxyphenoxy)-dimethyl-pentoxysilane
CID 91740000
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735
(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
CID 91744864
butoxy-(2,3-dimethylphenoxy)-dimethylsilane
CID 91738660
(4-methoxyphenoxy)-dimethyl-nonoxysilane
CID 91742591

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenoxy)-dimethyl-tetradecoxysilane?
The IUPAC name of (2-chlorophenoxy)-dimethyl-tetradecoxysilane (CID 91744415) is (2-chlorophenoxy)-dimethyl-tetradecoxysilane.
What is the SMILES notation for (2-chlorophenoxy)-dimethyl-tetradecoxysilane?
The canonical SMILES for (2-chlorophenoxy)-dimethyl-tetradecoxysilane is CCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenoxy)-dimethyl-tetradecoxysilane?
The InChIKey is JQHMHGSWLVYLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-24-26(2,3)25-22-19-16-15-18-21(22)23/h15-16,18-19H,4-14,17,20H2,1-3H3.
What are the key properties of (2-chlorophenoxy)-dimethyl-tetradecoxysilane?
(2-chlorophenoxy)-dimethyl-tetradecoxysilane has a molecular weight of 399.09 g/mol, XLogP of 8.14, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenoxy)-dimethyl-tetradecoxysilane is sourced from PubChem (CID 91744415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).