1-(chloromethyl)-3,5-dimethylbenzene;silane

C9H15ClSi — CID 160884326

IUPAC1-(chloromethyl)-3,5-dimethylbenzene;silane
SMILESCc1cc(C)cc(CCl)c1.[SiH4]
InChIInChI=1S/C9H11Cl.H4Si/c1-7-3-8(2)5-9(4-7)6-10;/h3-5H,6H2,1-2H3;1H4
InChIKeySNKZHUCCZMULLN-UHFFFAOYSA-N
MW186.76 g/mol
LogP1.59
Rot. Bonds1

About 1-(chloromethyl)-3,5-dimethylbenzene;silane

1-(chloromethyl)-3,5-dimethylbenzene;silane (PubChem CID 160884326) has the molecular formula C9H15ClSi and a molecular weight of 186.76 g/mol. Its IUPAC name is 1-(chloromethyl)-3,5-dimethylbenzene;silane.

Molecular Properties

Compound Name1-(chloromethyl)-3,5-dimethylbenzene;silane
PubChem CID160884326
Molecular FormulaC9H15ClSi
Molecular Weight186.76 g/mol
Exact Mass186.06
IUPAC Name1-(chloromethyl)-3,5-dimethylbenzene;silane
SMILESCc1cc(C)cc(CCl)c1.[SiH4]
InChIInChI=1S/C9H11Cl.H4Si/c1-7-3-8(2)5-9(4-7)6-10;/h3-5H,6H2,1-2H3;1H4
InChIKeySNKZHUCCZMULLN-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.76
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
CID 63536847
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene
CID 21043179
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene
CID 21043178
1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 65026563
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3,5-dimethylbenzene;silane?
The IUPAC name of 1-(chloromethyl)-3,5-dimethylbenzene;silane (CID 160884326) is 1-(chloromethyl)-3,5-dimethylbenzene;silane.
What is the SMILES notation for 1-(chloromethyl)-3,5-dimethylbenzene;silane?
The canonical SMILES for 1-(chloromethyl)-3,5-dimethylbenzene;silane is Cc1cc(C)cc(CCl)c1.[SiH4].
What is the InChIKey of 1-(chloromethyl)-3,5-dimethylbenzene;silane?
The InChIKey is SNKZHUCCZMULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.H4Si/c1-7-3-8(2)5-9(4-7)6-10;/h3-5H,6H2,1-2H3;1H4.
What are the key properties of 1-(chloromethyl)-3,5-dimethylbenzene;silane?
1-(chloromethyl)-3,5-dimethylbenzene;silane has a molecular weight of 186.76 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3,5-dimethylbenzene;silane is sourced from PubChem (CID 160884326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).