5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane

C18H30O2Si2 — CID 132596423

IUPAC5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane
SMILESC#Cc1ccc(OCCCCC[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si2/c1-7-17-11-13-18(14-12-17)19-15-9-8-10-16-22(5,6)20-21(2,3)4/h1,11-14H,8-10,15-16H2,2-6H3
InChIKeySCNFVKVCXSTPGH-UHFFFAOYSA-N
MW334.61 g/mol
LogP5.27
Rot. Bonds9

About 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane

5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane (PubChem CID 132596423) has the molecular formula C18H30O2Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane
PubChem CID132596423
Molecular FormulaC18H30O2Si2
Molecular Weight334.61 g/mol
Exact Mass334.18
IUPAC Name5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane
SMILESC#Cc1ccc(OCCCCC[Si](C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C18H30O2Si2/c1-7-17-11-13-18(14-12-17)19-15-9-8-10-16-22(5,6)20-21(2,3)4/h1,11-14H,8-10,15-16H2,2-6H3
InChIKeySCNFVKVCXSTPGH-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(3-phenoxypropyl)-trimethylsilyloxysilane
CID 19912171
(4-butoxyphenyl) 4-[6-[dimethyl(trimethylsilyloxy)silyl]hexoxy]benzoate
CID 19104486
4-[4-[5-[[but-3-enyl(dimethyl)silyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101341578
(4-butoxyphenyl)-(4-ethynylphenyl)diazene
CID 101121251
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437
4-[4-[5-[[5-[3-[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxy]-2,2-bis[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxymethyl]propoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101264340
(4-ethynylphenoxy)-trimethylsilane
CID 139607872
[4-[4-[8-[dimethyl(trimethylsilyloxy)silyl]octoxy]benzoyl]oxy-3-methylphenyl] 4-[8-[dimethyl(trimethylsilyloxy)silyl]octoxy]benzoate
CID 100914819
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
(2,3,4,5,6-pentafluorophenyl) 6-(4-ethynylphenoxy)hexanoate
CID 155899419
4-methoxybutyl-dimethyl-trimethylsilyloxysilane
CID 59691033
4-(7-trimethylsilylheptoxy)phenol
CID 169298048

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane?
The IUPAC name of 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane (CID 132596423) is 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane.
What is the SMILES notation for 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane?
The canonical SMILES for 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane is C#Cc1ccc(OCCCCC[Si](C)(C)O[Si](C)(C)C)cc1.
What is the InChIKey of 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane?
The InChIKey is SCNFVKVCXSTPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si2/c1-7-17-11-13-18(14-12-17)19-15-9-8-10-16-22(5,6)20-21(2,3)4/h1,11-14H,8-10,15-16H2,2-6H3.
What are the key properties of 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane?
5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane has a molecular weight of 334.61 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethynylphenoxy)pentyl-dimethyl-trimethylsilyloxysilane is sourced from PubChem (CID 132596423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).