3-(carbamoylamino)propyl trihexyl silicate

C22H48N2O5Si — CID 175544695

IUPAC3-(carbamoylamino)propyl trihexyl silicate
SMILESCCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCNC(N)=O
InChIInChI=1S/C22H48N2O5Si/c1-4-7-10-13-18-26-30(27-19-14-11-8-5-2,28-20-15-12-9-6-3)29-21-16-17-24-22(23)25/h4-21H2,1-3H3,(H3,23,24,25)
InChIKeyYPNVRRAHNRLWCS-UHFFFAOYSA-N
MW448.72 g/mol
LogP5.29
Rot. Bonds23

About 3-(carbamoylamino)propyl trihexyl silicate

3-(carbamoylamino)propyl trihexyl silicate (PubChem CID 175544695) has the molecular formula C22H48N2O5Si and a molecular weight of 448.72 g/mol. Its IUPAC name is 3-(carbamoylamino)propyl trihexyl silicate.

Molecular Properties

Compound Name3-(carbamoylamino)propyl trihexyl silicate
PubChem CID175544695
Molecular FormulaC22H48N2O5Si
Molecular Weight448.72 g/mol
Exact Mass448.33
IUPAC Name3-(carbamoylamino)propyl trihexyl silicate
SMILESCCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCNC(N)=O
InChIInChI=1S/C22H48N2O5Si/c1-4-7-10-13-18-26-30(27-19-14-11-8-5-2,28-20-15-12-9-6-3)29-21-16-17-24-22(23)25/h4-21H2,1-3H3,(H3,23,24,25)
InChIKeyYPNVRRAHNRLWCS-UHFFFAOYSA-N
XLogP5.29
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-butoxypropylurea
CID 115575573
pentylurea;hydrate
CID 172845599
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
butylurea;silicic acid
CID 86735760
tributyl octyl silicate
CID 141280761
tributyl pentyl silicate
CID 524737
dibutyl dipentyl silicate
CID 524713
3-methoxypropylurea
CID 2064040
tridodecyl ethyl silicate
CID 154324829
diethyl dioctyl silicate
CID 154218739

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)propyl trihexyl silicate?
The IUPAC name of 3-(carbamoylamino)propyl trihexyl silicate (CID 175544695) is 3-(carbamoylamino)propyl trihexyl silicate.
What is the SMILES notation for 3-(carbamoylamino)propyl trihexyl silicate?
The canonical SMILES for 3-(carbamoylamino)propyl trihexyl silicate is CCCCCCO[Si](OCCCCCC)(OCCCCCC)OCCCNC(N)=O.
What is the InChIKey of 3-(carbamoylamino)propyl trihexyl silicate?
The InChIKey is YPNVRRAHNRLWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O5Si/c1-4-7-10-13-18-26-30(27-19-14-11-8-5-2,28-20-15-12-9-6-3)29-21-16-17-24-22(23)25/h4-21H2,1-3H3,(H3,23,24,25).
What are the key properties of 3-(carbamoylamino)propyl trihexyl silicate?
3-(carbamoylamino)propyl trihexyl silicate has a molecular weight of 448.72 g/mol, XLogP of 5.29, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)propyl trihexyl silicate is sourced from PubChem (CID 175544695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).