[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane

C16H29ClOSi2 — CID 10373638

IUPAC[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane
SMILESC[Si](C)(C)CCCC(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H29ClOSi2/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14/h9-12,16H,7-8,13H2,1-6H3
InChIKeyNKDFYMYNPLPROK-UHFFFAOYSA-N
MW329.03 g/mol
LogP6.35
Rot. Bonds7

About [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane

[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane (PubChem CID 10373638) has the molecular formula C16H29ClOSi2 and a molecular weight of 329.03 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane
PubChem CID10373638
Molecular FormulaC16H29ClOSi2
Molecular Weight329.03 g/mol
Exact Mass328.14
IUPAC Name[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane
SMILESC[Si](C)(C)CCCC(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H29ClOSi2/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14/h9-12,16H,7-8,13H2,1-6H3
InChIKeyNKDFYMYNPLPROK-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.03
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-[2-[(2S)-2-(4-chlorophenyl)-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 135068116
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410
[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
CID 10373637
1-(4-chlorophenyl)-2-trimethylsilylethanol
CID 15709623
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
1-(2-bromo-1-ethoxyethyl)-4-chlorobenzene
CID 62113195
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
(3S)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-(4-chlorophenyl)butyl]-4,4-dimethylcyclohexan-1-one
CID 102457673
1-chloro-4-(5-chloropentan-2-yl)benzene
CID 154098348

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane (CID 10373638) is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane is C[Si](C)(C)CCCC(O[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane?
The InChIKey is NKDFYMYNPLPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClOSi2/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14/h9-12,16H,7-8,13H2,1-6H3.
What are the key properties of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane?
[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane has a molecular weight of 329.03 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane is sourced from PubChem (CID 10373638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).