chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane

C14H23ClSi — CID 151743213

IUPACchloro-(3-ethylpentan-3-yl)-methyl-phenylsilane
SMILESCCC(CC)(CC)[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C14H23ClSi/c1-5-14(6-2,7-3)16(4,15)13-11-9-8-10-12-13/h8-12H,5-7H2,1-4H3
InChIKeyRMYRJXJQJBFLRD-UHFFFAOYSA-N
MW254.88 g/mol
LogP4.68
Rot. Bonds5

About chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane

chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane (PubChem CID 151743213) has the molecular formula C14H23ClSi and a molecular weight of 254.88 g/mol. Its IUPAC name is chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane.

Molecular Properties

Compound Namechloro-(3-ethylpentan-3-yl)-methyl-phenylsilane
PubChem CID151743213
Molecular FormulaC14H23ClSi
Molecular Weight254.88 g/mol
Exact Mass254.13
IUPAC Namechloro-(3-ethylpentan-3-yl)-methyl-phenylsilane
SMILESCCC(CC)(CC)[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C14H23ClSi/c1-5-14(6-2,7-3)16(4,15)13-11-9-8-10-12-13/h8-12H,5-7H2,1-4H3
InChIKeyRMYRJXJQJBFLRD-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-phenyl-dipropylsilane
CID 57124380
chloro-[5-(chloro-methyl-phenylsilyl)thiophen-2-yl]-methyl-phenylsilane
CID 101107182
ethane;methane;propane;trimethyl(phenyl)silane
CID 158039342
chloro-(chloro-methyl-phenylsilyl)oxy-methyl-phenylsilane
CID 101051464
chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835
dichloro(diphenyl)silane
CID 6627
ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
CID 66774383
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
ethyl(triphenyl)silane
CID 5219688
chloro-[10-(chloro-methyl-phenylsilyl)anthracen-9-yl]-methyl-phenylsilane
CID 139704498
(chloro-methyl-phenylsilyl) hypochlorite
CID 141011514

Frequently Asked Questions

What is the IUPAC name of chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane?
The IUPAC name of chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane (CID 151743213) is chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane.
What is the SMILES notation for chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane?
The canonical SMILES for chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane is CCC(CC)(CC)[Si](C)(Cl)c1ccccc1.
What is the InChIKey of chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane?
The InChIKey is RMYRJXJQJBFLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClSi/c1-5-14(6-2,7-3)16(4,15)13-11-9-8-10-12-13/h8-12H,5-7H2,1-4H3.
What are the key properties of chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane?
chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane has a molecular weight of 254.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane is sourced from PubChem (CID 151743213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).