3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol

C18H41NO5Si — CID 144747222

IUPAC3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol
SMILESCCO[Si](CCCOCC(O)C(N)(C(C)C)C(C)C)(OCC)OCC
InChIInChI=1S/C18H41NO5Si/c1-8-22-25(23-9-2,24-10-3)13-11-12-21-14-17(20)18(19,15(4)5)16(6)7/h15-17,20H,8-14,19H2,1-7H3
InChIKeyFVEQSTHCDYMVLW-UHFFFAOYSA-N
MW379.61 g/mol
LogP2.81
Rot. Bonds15

About 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol

3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol (PubChem CID 144747222) has the molecular formula C18H41NO5Si and a molecular weight of 379.61 g/mol. Its IUPAC name is 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol.

Molecular Properties

Compound Name3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol
PubChem CID144747222
Molecular FormulaC18H41NO5Si
Molecular Weight379.61 g/mol
Exact Mass379.28
IUPAC Name3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol
SMILESCCO[Si](CCCOCC(O)C(N)(C(C)C)C(C)C)(OCC)OCC
InChIInChI=1S/C18H41NO5Si/c1-8-22-25(23-9-2,24-10-3)13-11-12-21-14-17(20)18(19,15(4)5)16(6)7/h15-17,20H,8-14,19H2,1-7H3
InChIKeyFVEQSTHCDYMVLW-UHFFFAOYSA-N
XLogP2.81
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
CID 58695535
triethoxy-[3-(thiiran-2-ylmethoxy)propyl]silane
CID 90110573
tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
CID 101498166
3-(2-ethoxypropoxy)propyl-trimethoxysilane
CID 141066009
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
3-[1-[3-[dimethoxy(methyl)silyl]propoxy]propan-2-yloxy]propyl-dimethoxy-methylsilane;triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 160651354
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate
CID 141037830
triethoxy(3-methoxypropyl)silane
CID 22712922

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol?
The IUPAC name of 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol (CID 144747222) is 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol.
What is the SMILES notation for 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol?
The canonical SMILES for 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol is CCO[Si](CCCOCC(O)C(N)(C(C)C)C(C)C)(OCC)OCC.
What is the InChIKey of 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol?
The InChIKey is FVEQSTHCDYMVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO5Si/c1-8-22-25(23-9-2,24-10-3)13-11-12-21-14-17(20)18(19,15(4)5)16(6)7/h15-17,20H,8-14,19H2,1-7H3.
What are the key properties of 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol?
3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol has a molecular weight of 379.61 g/mol, XLogP of 2.81, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol is sourced from PubChem (CID 144747222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).