triethoxy-[4-(oxan-2-yloxy)phenyl]silane

C17H28O5Si — CID 71105884

IUPACtriethoxy-[4-(oxan-2-yloxy)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C17H28O5Si/c1-4-19-23(20-5-2,21-6-3)16-12-10-15(11-13-16)22-17-9-7-8-14-18-17/h10-13,17H,4-9,14H2,1-3H3
InChIKeyKWYRUTMHMLTVRS-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.85
Rot. Bonds9

About triethoxy-[4-(oxan-2-yloxy)phenyl]silane

triethoxy-[4-(oxan-2-yloxy)phenyl]silane (PubChem CID 71105884) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is triethoxy-[4-(oxan-2-yloxy)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(oxan-2-yloxy)phenyl]silane
PubChem CID71105884
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Nametriethoxy-[4-(oxan-2-yloxy)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C17H28O5Si/c1-4-19-23(20-5-2,21-6-3)16-12-10-15(11-13-16)22-17-9-7-8-14-18-17/h10-13,17H,4-9,14H2,1-3H3
InChIKeyKWYRUTMHMLTVRS-UHFFFAOYSA-N
XLogP2.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
CID 159621581
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
CID 168763543
CID 168763543
4-(oxan-2-yloxy)phenol
CID 11745519
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-[4-(4,4-dimethylhexan-3-yl)phenoxy]oxane
CID 123479898

Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-(oxan-2-yloxy)phenyl]silane?
The IUPAC name of triethoxy-[4-(oxan-2-yloxy)phenyl]silane (CID 71105884) is triethoxy-[4-(oxan-2-yloxy)phenyl]silane.
What is the SMILES notation for triethoxy-[4-(oxan-2-yloxy)phenyl]silane?
The canonical SMILES for triethoxy-[4-(oxan-2-yloxy)phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of triethoxy-[4-(oxan-2-yloxy)phenyl]silane?
The InChIKey is KWYRUTMHMLTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-4-19-23(20-5-2,21-6-3)16-12-10-15(11-13-16)22-17-9-7-8-14-18-17/h10-13,17H,4-9,14H2,1-3H3.
What are the key properties of triethoxy-[4-(oxan-2-yloxy)phenyl]silane?
triethoxy-[4-(oxan-2-yloxy)phenyl]silane has a molecular weight of 340.49 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(oxan-2-yloxy)phenyl]silane is sourced from PubChem (CID 71105884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).