1,3-bis(5,5-diethoxy-3-silylpentyl)urea

C19H44N2O5Si2 — CID 175706755

IUPAC1,3-bis(5,5-diethoxy-3-silylpentyl)urea
SMILESCCOC(CC([SiH3])CCNC(=O)NCCC([SiH3])CC(OCC)OCC)OCC
InChIInChI=1S/C19H44N2O5Si2/c1-5-23-17(24-6-2)13-15(27)9-11-20-19(22)21-12-10-16(28)14-18(25-7-3)26-8-4/h15-18H,5-14H2,1-4,27-28H3,(H2,20,21,22)
InChIKeyWMCCRQSBOBUEIY-UHFFFAOYSA-N
MW436.74 g/mol
LogP0.95
Rot. Bonds18

About 1,3-bis(5,5-diethoxy-3-silylpentyl)urea

1,3-bis(5,5-diethoxy-3-silylpentyl)urea (PubChem CID 175706755) has the molecular formula C19H44N2O5Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is 1,3-bis(5,5-diethoxy-3-silylpentyl)urea.

Molecular Properties

Compound Name1,3-bis(5,5-diethoxy-3-silylpentyl)urea
PubChem CID175706755
Molecular FormulaC19H44N2O5Si2
Molecular Weight436.74 g/mol
Exact Mass436.28
IUPAC Name1,3-bis(5,5-diethoxy-3-silylpentyl)urea
SMILESCCOC(CC([SiH3])CCNC(=O)NCCC([SiH3])CC(OCC)OCC)OCC
InChIInChI=1S/C19H44N2O5Si2/c1-5-23-17(24-6-2)13-15(27)9-11-20-19(22)21-12-10-16(28)14-18(25-7-3)26-8-4/h15-18H,5-14H2,1-4,27-28H3,(H2,20,21,22)
InChIKeyWMCCRQSBOBUEIY-UHFFFAOYSA-N
XLogP0.95
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,3-bis(5,5-diethoxy-3-silylpentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-diethoxybutyl)-3-ethylurea
CID 10988136
3,3-diethoxypropylcarbamic acid
CID 21075732
1,3-bis(3-methylbutyl)urea
CID 22563958
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
N-(4,4-diethoxybutyl)-2-hydroxyacetamide
CID 89285758
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
3,3-diethoxypropylthiourea
CID 59818330
1-(4,4-diethoxybutyl)-3-(4-methylsulfanylphenyl)urea
CID 3808672
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
1-butyl-3-(2-ethoxypropyl)urea
CID 115660949
2,3,4-trimethylhexyl N-(3,3-diethoxypropyl)carbamate
CID 59537059

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5,5-diethoxy-3-silylpentyl)urea?
The IUPAC name of 1,3-bis(5,5-diethoxy-3-silylpentyl)urea (CID 175706755) is 1,3-bis(5,5-diethoxy-3-silylpentyl)urea.
What is the SMILES notation for 1,3-bis(5,5-diethoxy-3-silylpentyl)urea?
The canonical SMILES for 1,3-bis(5,5-diethoxy-3-silylpentyl)urea is CCOC(CC([SiH3])CCNC(=O)NCCC([SiH3])CC(OCC)OCC)OCC.
What is the InChIKey of 1,3-bis(5,5-diethoxy-3-silylpentyl)urea?
The InChIKey is WMCCRQSBOBUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2O5Si2/c1-5-23-17(24-6-2)13-15(27)9-11-20-19(22)21-12-10-16(28)14-18(25-7-3)26-8-4/h15-18H,5-14H2,1-4,27-28H3,(H2,20,21,22).
What are the key properties of 1,3-bis(5,5-diethoxy-3-silylpentyl)urea?
1,3-bis(5,5-diethoxy-3-silylpentyl)urea has a molecular weight of 436.74 g/mol, XLogP of 0.95, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5,5-diethoxy-3-silylpentyl)urea is sourced from PubChem (CID 175706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).