(2-hydroxy-6-triethoxysilylhexyl) carbamate

C13H29NO6Si — CID 154262289

IUPAC(2-hydroxy-6-triethoxysilylhexyl) carbamate
SMILESCCO[Si](CCCCC(O)COC(N)=O)(OCC)OCC
InChIInChI=1S/C13H29NO6Si/c1-4-18-21(19-5-2,20-6-3)10-8-7-9-12(15)11-17-13(14)16/h12,15H,4-11H2,1-3H3,(H2,14,16)
InChIKeyVWTTZPZQCNDOSU-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.66
Rot. Bonds13

About (2-hydroxy-6-triethoxysilylhexyl) carbamate

(2-hydroxy-6-triethoxysilylhexyl) carbamate (PubChem CID 154262289) has the molecular formula C13H29NO6Si and a molecular weight of 323.46 g/mol. Its IUPAC name is (2-hydroxy-6-triethoxysilylhexyl) carbamate.

Molecular Properties

Compound Name(2-hydroxy-6-triethoxysilylhexyl) carbamate
PubChem CID154262289
Molecular FormulaC13H29NO6Si
Molecular Weight323.46 g/mol
Exact Mass323.18
IUPAC Name(2-hydroxy-6-triethoxysilylhexyl) carbamate
SMILESCCO[Si](CCCCC(O)COC(N)=O)(OCC)OCC
InChIInChI=1S/C13H29NO6Si/c1-4-18-21(19-5-2,20-6-3)10-8-7-9-12(15)11-17-13(14)16/h12,15H,4-11H2,1-3H3,(H2,14,16)
InChIKeyVWTTZPZQCNDOSU-UHFFFAOYSA-N
XLogP1.66
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.66
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

(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
CID 158810416
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
2,3-dihydroxypropyl 5-triethoxysilylpentanoate
CID 58321069
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930
5-hydroxy-N-(3-triethoxysilylpropyl)decanamide
CID 90014913
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
2-hydroxyhexyl hydrogen carbonate
CID 87255598
(3-amino-2-hydroxypropyl) carbamate
CID 87536011

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-triethoxysilylhexyl) carbamate?
The IUPAC name of (2-hydroxy-6-triethoxysilylhexyl) carbamate (CID 154262289) is (2-hydroxy-6-triethoxysilylhexyl) carbamate.
What is the SMILES notation for (2-hydroxy-6-triethoxysilylhexyl) carbamate?
The canonical SMILES for (2-hydroxy-6-triethoxysilylhexyl) carbamate is CCO[Si](CCCCC(O)COC(N)=O)(OCC)OCC.
What is the InChIKey of (2-hydroxy-6-triethoxysilylhexyl) carbamate?
The InChIKey is VWTTZPZQCNDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO6Si/c1-4-18-21(19-5-2,20-6-3)10-8-7-9-12(15)11-17-13(14)16/h12,15H,4-11H2,1-3H3,(H2,14,16).
What are the key properties of (2-hydroxy-6-triethoxysilylhexyl) carbamate?
(2-hydroxy-6-triethoxysilylhexyl) carbamate has a molecular weight of 323.46 g/mol, XLogP of 1.66, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-triethoxysilylhexyl) carbamate is sourced from PubChem (CID 154262289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).