1,3-bis(1-triethoxysilylcyclohexyl)urea

C25H52N2O7Si2 — CID 152523333

IUPAC1,3-bis(1-triethoxysilylcyclohexyl)urea
SMILESCCO[Si](OCC)(OCC)C1(NC(=O)NC2([Si](OCC)(OCC)OCC)CCCCC2)CCCCC1
InChIInChI=1S/C25H52N2O7Si2/c1-7-29-35(30-8-2,31-9-3)24(19-15-13-16-20-24)26-23(28)27-25(21-17-14-18-22-25)36(32-10-4,33-11-5)34-12-6/h7-22H2,1-6H3,(H2,26,27,28)
InChIKeyYHZORDPNSYTNAG-UHFFFAOYSA-N
MW548.87 g/mol
LogP4.87
Rot. Bonds16

About 1,3-bis(1-triethoxysilylcyclohexyl)urea

1,3-bis(1-triethoxysilylcyclohexyl)urea (PubChem CID 152523333) has the molecular formula C25H52N2O7Si2 and a molecular weight of 548.87 g/mol. Its IUPAC name is 1,3-bis(1-triethoxysilylcyclohexyl)urea.

Molecular Properties

Compound Name1,3-bis(1-triethoxysilylcyclohexyl)urea
PubChem CID152523333
Molecular FormulaC25H52N2O7Si2
Molecular Weight548.87 g/mol
Exact Mass548.33
IUPAC Name1,3-bis(1-triethoxysilylcyclohexyl)urea
SMILESCCO[Si](OCC)(OCC)C1(NC(=O)NC2([Si](OCC)(OCC)OCC)CCCCC2)CCCCC1
InChIInChI=1S/C25H52N2O7Si2/c1-7-29-35(30-8-2,31-9-3)24(19-15-13-16-20-24)26-23(28)27-25(21-17-14-18-22-25)36(32-10-4,33-11-5)34-12-6/h7-22H2,1-6H3,(H2,26,27,28)
InChIKeyYHZORDPNSYTNAG-UHFFFAOYSA-N
XLogP4.87
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
N-ethyl-N-(2-ethylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242290
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
diethyl 2-[(1-methylcyclohexanecarbonyl)amino]propanedioate
CID 106828158
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
1-(1-methoxycyclooctyl)propan-1-one
CID 83225194
1-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]cyclohexane-1-carboxylic acid
CID 110192625
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-triethoxysilylcyclohexyl)urea?
The IUPAC name of 1,3-bis(1-triethoxysilylcyclohexyl)urea (CID 152523333) is 1,3-bis(1-triethoxysilylcyclohexyl)urea.
What is the SMILES notation for 1,3-bis(1-triethoxysilylcyclohexyl)urea?
The canonical SMILES for 1,3-bis(1-triethoxysilylcyclohexyl)urea is CCO[Si](OCC)(OCC)C1(NC(=O)NC2([Si](OCC)(OCC)OCC)CCCCC2)CCCCC1.
What is the InChIKey of 1,3-bis(1-triethoxysilylcyclohexyl)urea?
The InChIKey is YHZORDPNSYTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O7Si2/c1-7-29-35(30-8-2,31-9-3)24(19-15-13-16-20-24)26-23(28)27-25(21-17-14-18-22-25)36(32-10-4,33-11-5)34-12-6/h7-22H2,1-6H3,(H2,26,27,28).
What are the key properties of 1,3-bis(1-triethoxysilylcyclohexyl)urea?
1,3-bis(1-triethoxysilylcyclohexyl)urea has a molecular weight of 548.87 g/mol, XLogP of 4.87, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-triethoxysilylcyclohexyl)urea is sourced from PubChem (CID 152523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).