2-[4-(5-chloropentoxy)phenoxy]ethylsilane

C13H21ClO2Si — CID 123967006

IUPAC2-[4-(5-chloropentoxy)phenoxy]ethylsilane
SMILES[SiH3]CCOc1ccc(OCCCCCCl)cc1
InChIInChI=1S/C13H21ClO2Si/c14-8-2-1-3-9-15-12-4-6-13(7-5-12)16-10-11-17/h4-7H,1-3,8-11H2,17H3
InChIKeyCUCXMNBNRULRTO-UHFFFAOYSA-N
MW272.85 g/mol
LogP2.64
Rot. Bonds9

About 2-[4-(5-chloropentoxy)phenoxy]ethylsilane

2-[4-(5-chloropentoxy)phenoxy]ethylsilane (PubChem CID 123967006) has the molecular formula C13H21ClO2Si and a molecular weight of 272.85 g/mol. Its IUPAC name is 2-[4-(5-chloropentoxy)phenoxy]ethylsilane.

Molecular Properties

Compound Name2-[4-(5-chloropentoxy)phenoxy]ethylsilane
PubChem CID123967006
Molecular FormulaC13H21ClO2Si
Molecular Weight272.85 g/mol
Exact Mass272.10
IUPAC Name2-[4-(5-chloropentoxy)phenoxy]ethylsilane
SMILES[SiH3]CCOc1ccc(OCCCCCCl)cc1
InChIInChI=1S/C13H21ClO2Si/c14-8-2-1-3-9-15-12-4-6-13(7-5-12)16-10-11-17/h4-7H,1-3,8-11H2,17H3
InChIKeyCUCXMNBNRULRTO-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
1,4-di(tetradecoxy)benzene
CID 57023723
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropentoxy)phenoxy]ethylsilane?
The IUPAC name of 2-[4-(5-chloropentoxy)phenoxy]ethylsilane (CID 123967006) is 2-[4-(5-chloropentoxy)phenoxy]ethylsilane.
What is the SMILES notation for 2-[4-(5-chloropentoxy)phenoxy]ethylsilane?
The canonical SMILES for 2-[4-(5-chloropentoxy)phenoxy]ethylsilane is [SiH3]CCOc1ccc(OCCCCCCl)cc1.
What is the InChIKey of 2-[4-(5-chloropentoxy)phenoxy]ethylsilane?
The InChIKey is CUCXMNBNRULRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO2Si/c14-8-2-1-3-9-15-12-4-6-13(7-5-12)16-10-11-17/h4-7H,1-3,8-11H2,17H3.
What are the key properties of 2-[4-(5-chloropentoxy)phenoxy]ethylsilane?
2-[4-(5-chloropentoxy)phenoxy]ethylsilane has a molecular weight of 272.85 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropentoxy)phenoxy]ethylsilane is sourced from PubChem (CID 123967006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).