1-tributoxysilylpropylurea

C16H36N2O4Si — CID 87205121

IUPAC1-tributoxysilylpropylurea
SMILESCCCCO[Si](OCCCC)(OCCCC)C(CC)NC(N)=O
InChIInChI=1S/C16H36N2O4Si/c1-5-9-12-20-23(21-13-10-6-2,22-14-11-7-3)15(8-4)18-16(17)19/h15H,5-14H2,1-4H3,(H3,17,18,19)
InChIKeySTLTVFKYBSAZAS-UHFFFAOYSA-N
MW348.56 g/mol
LogP3.36
Rot. Bonds15

About 1-tributoxysilylpropylurea

1-tributoxysilylpropylurea (PubChem CID 87205121) has the molecular formula C16H36N2O4Si and a molecular weight of 348.56 g/mol. Its IUPAC name is 1-tributoxysilylpropylurea.

Molecular Properties

Compound Name1-tributoxysilylpropylurea
PubChem CID87205121
Molecular FormulaC16H36N2O4Si
Molecular Weight348.56 g/mol
Exact Mass348.24
IUPAC Name1-tributoxysilylpropylurea
SMILESCCCCO[Si](OCCCC)(OCCCC)C(CC)NC(N)=O
InChIInChI=1S/C16H36N2O4Si/c1-5-9-12-20-23(21-13-10-6-2,22-14-11-7-3)15(8-4)18-16(17)19/h15H,5-14H2,1-4H3,(H3,17,18,19)
InChIKeySTLTVFKYBSAZAS-UHFFFAOYSA-N
XLogP3.36
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N-(1-triethoxysilylpropyl)acetamide
CID 18353899
1-triethoxysilylheptan-4-ylurea
CID 87656666
3-(carbamoylamino)propyl trihexyl silicate
CID 175544695
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
1-(carbamoylamino)heptylurea
CID 91212304
butyl pentan-3-yl carbonate
CID 155213116
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
3-butoxypropylurea
CID 115575573
butyl N-(1-aminoethyl)carbamate
CID 87930052

Frequently Asked Questions

What is the IUPAC name of 1-tributoxysilylpropylurea?
The IUPAC name of 1-tributoxysilylpropylurea (CID 87205121) is 1-tributoxysilylpropylurea.
What is the SMILES notation for 1-tributoxysilylpropylurea?
The canonical SMILES for 1-tributoxysilylpropylurea is CCCCO[Si](OCCCC)(OCCCC)C(CC)NC(N)=O.
What is the InChIKey of 1-tributoxysilylpropylurea?
The InChIKey is STLTVFKYBSAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O4Si/c1-5-9-12-20-23(21-13-10-6-2,22-14-11-7-3)15(8-4)18-16(17)19/h15H,5-14H2,1-4H3,(H3,17,18,19).
What are the key properties of 1-tributoxysilylpropylurea?
1-tributoxysilylpropylurea has a molecular weight of 348.56 g/mol, XLogP of 3.36, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tributoxysilylpropylurea is sourced from PubChem (CID 87205121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).