[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane

C16H27ClOSi — CID 78097760

IUPAC[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(CCl)cc1)(C(C)C)C(C)C
InChIInChI=1S/C16H27ClOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h7-10,12-14H,11H2,1-6H3
InChIKeyYSCPXRRMMPCUHL-UHFFFAOYSA-N
MW298.93 g/mol
LogP5.98
Rot. Bonds6

About [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane

[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane (PubChem CID 78097760) has the molecular formula C16H27ClOSi and a molecular weight of 298.93 g/mol. Its IUPAC name is [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane
PubChem CID78097760
Molecular FormulaC16H27ClOSi
Molecular Weight298.93 g/mol
Exact Mass298.15
IUPAC Name[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(CCl)cc1)(C(C)C)C(C)C
InChIInChI=1S/C16H27ClOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h7-10,12-14H,11H2,1-6H3
InChIKeyYSCPXRRMMPCUHL-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.93
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane (CID 78097760) is [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccc(CCl)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane?
The InChIKey is YSCPXRRMMPCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClOSi/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h7-10,12-14H,11H2,1-6H3.
What are the key properties of [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane?
[4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane has a molecular weight of 298.93 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 78097760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).