triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine

C25H45NO6Si2 — CID 161226227

IUPACtriethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccc2ccccc2c1
InChIInChI=1S/C16H22O3Si.C9H23NO3Si/c1-4-17-20(18-5-2,19-6-3)16-12-11-14-9-7-8-10-15(14)13-16;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h7-13H,4-6H2,1-3H3;4-10H2,1-3H3
InChIKeyUYDVGRWOVMQQOV-UHFFFAOYSA-N
MW511.81 g/mol
LogP4.48
Rot. Bonds16

About triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine

triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine (PubChem CID 161226227) has the molecular formula C25H45NO6Si2 and a molecular weight of 511.81 g/mol. Its IUPAC name is triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Nametriethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine
PubChem CID161226227
Molecular FormulaC25H45NO6Si2
Molecular Weight511.81 g/mol
Exact Mass511.28
IUPAC Nametriethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccc2ccccc2c1
InChIInChI=1S/C16H22O3Si.C9H23NO3Si/c1-4-17-20(18-5-2,19-6-3)16-12-11-14-9-7-8-10-15(14)13-16;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h7-13H,4-6H2,1-3H3;4-10H2,1-3H3
InChIKeyUYDVGRWOVMQQOV-UHFFFAOYSA-N
XLogP4.48
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(phenanthren-3-yl)silane
CID 165394942
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(thianthren-2-yl)silane
CID 71116676
triethoxy(1-naphthalen-2-ylethyl)silane
CID 18795115
triethoxy(5-phenoxypentyl)silane
CID 69261827
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
ethane;triethoxy(phenyl)silane
CID 174836592
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
trimethoxy(tetracen-2-yl)silane
CID 23434786
anthracen-2-yl(trimethoxy)silane
CID 87375870
3-(benzotriazol-2-yl)propyl-triethoxysilane
CID 168967771

Frequently Asked Questions

What is the IUPAC name of triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine?
The IUPAC name of triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine (CID 161226227) is triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine?
The canonical SMILES for triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccc2ccccc2c1.
What is the InChIKey of triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine?
The InChIKey is UYDVGRWOVMQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3Si.C9H23NO3Si/c1-4-17-20(18-5-2,19-6-3)16-12-11-14-9-7-8-10-15(14)13-16;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h7-13H,4-6H2,1-3H3;4-10H2,1-3H3.
What are the key properties of triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine?
triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine has a molecular weight of 511.81 g/mol, XLogP of 4.48, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(naphthalen-2-yl)silane;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 161226227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).