[2-(chloromethyl)phenoxy]-tripropylsilane

C16H27ClOSi — CID 68531670

IUPAC[2-(chloromethyl)phenoxy]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)Oc1ccccc1CCl
InChIInChI=1S/C16H27ClOSi/c1-4-11-19(12-5-2,13-6-3)18-16-10-8-7-9-15(16)14-17/h7-10H,4-6,11-14H2,1-3H3
InChIKeyWMYCCARGCSDZMT-UHFFFAOYSA-N
MW298.93 g/mol
LogP5.98
Rot. Bonds9

About [2-(chloromethyl)phenoxy]-tripropylsilane

[2-(chloromethyl)phenoxy]-tripropylsilane (PubChem CID 68531670) has the molecular formula C16H27ClOSi and a molecular weight of 298.93 g/mol. Its IUPAC name is [2-(chloromethyl)phenoxy]-tripropylsilane.

Molecular Properties

Compound Name[2-(chloromethyl)phenoxy]-tripropylsilane
PubChem CID68531670
Molecular FormulaC16H27ClOSi
Molecular Weight298.93 g/mol
Exact Mass298.15
IUPAC Name[2-(chloromethyl)phenoxy]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)Oc1ccccc1CCl
InChIInChI=1S/C16H27ClOSi/c1-4-11-19(12-5-2,13-6-3)18-16-10-8-7-9-15(16)14-17/h7-10H,4-6,11-14H2,1-3H3
InChIKeyWMYCCARGCSDZMT-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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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Related Compounds

1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
[2-(chloromethyl)phenyl] N-ethylcarbamate
CID 175051095
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
CID 22415765
1-(chloromethyl)-2-ethylbenzene
CID 524243
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
triethyl-[(2-methoxyphenyl)methoxy]silane
CID 101046757
1-(chloromethyl)-2-ethenoxybenzene
CID 154327624
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
[2-bromo-3-(chloromethyl)phenoxy]-trimethylsilane
CID 167726099

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)phenoxy]-tripropylsilane?
The IUPAC name of [2-(chloromethyl)phenoxy]-tripropylsilane (CID 68531670) is [2-(chloromethyl)phenoxy]-tripropylsilane.
What is the SMILES notation for [2-(chloromethyl)phenoxy]-tripropylsilane?
The canonical SMILES for [2-(chloromethyl)phenoxy]-tripropylsilane is CCC[Si](CCC)(CCC)Oc1ccccc1CCl.
What is the InChIKey of [2-(chloromethyl)phenoxy]-tripropylsilane?
The InChIKey is WMYCCARGCSDZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClOSi/c1-4-11-19(12-5-2,13-6-3)18-16-10-8-7-9-15(16)14-17/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of [2-(chloromethyl)phenoxy]-tripropylsilane?
[2-(chloromethyl)phenoxy]-tripropylsilane has a molecular weight of 298.93 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)phenoxy]-tripropylsilane is sourced from PubChem (CID 68531670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).