1,1-bis(4,4-dimethoxy-1-silylpentyl)urea

C15H36N2O5Si2 — CID 174743039

IUPAC1,1-bis(4,4-dimethoxy-1-silylpentyl)urea
SMILESCOC(C)(CCC([SiH3])N(C(N)=O)C([SiH3])CCC(C)(OC)OC)OC
InChIInChI=1S/C15H36N2O5Si2/c1-14(19-3,20-4)9-7-11(23)17(13(16)18)12(24)8-10-15(2,21-5)22-6/h11-12H,7-10H2,1-6,23-24H3,(H2,16,18)
InChIKeyHBWMIFMZKNULSU-UHFFFAOYSA-N
MW380.63 g/mol
LogP-0.67
Rot. Bonds12

About 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea

1,1-bis(4,4-dimethoxy-1-silylpentyl)urea (PubChem CID 174743039) has the molecular formula C15H36N2O5Si2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea.

Molecular Properties

Compound Name1,1-bis(4,4-dimethoxy-1-silylpentyl)urea
PubChem CID174743039
Molecular FormulaC15H36N2O5Si2
Molecular Weight380.63 g/mol
Exact Mass380.22
IUPAC Name1,1-bis(4,4-dimethoxy-1-silylpentyl)urea
SMILESCOC(C)(CCC([SiH3])N(C(N)=O)C([SiH3])CCC(C)(OC)OC)OC
InChIInChI=1S/C15H36N2O5Si2/c1-14(19-3,20-4)9-7-11(23)17(13(16)18)12(24)8-10-15(2,21-5)22-6/h11-12H,7-10H2,1-6,23-24H3,(H2,16,18)
InChIKeyHBWMIFMZKNULSU-UHFFFAOYSA-N
XLogP-0.67
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea?
The IUPAC name of 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea (CID 174743039) is 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea.
What is the SMILES notation for 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea?
The canonical SMILES for 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea is COC(C)(CCC([SiH3])N(C(N)=O)C([SiH3])CCC(C)(OC)OC)OC.
What is the InChIKey of 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea?
The InChIKey is HBWMIFMZKNULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N2O5Si2/c1-14(19-3,20-4)9-7-11(23)17(13(16)18)12(24)8-10-15(2,21-5)22-6/h11-12H,7-10H2,1-6,23-24H3,(H2,16,18).
What are the key properties of 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea?
1,1-bis(4,4-dimethoxy-1-silylpentyl)urea has a molecular weight of 380.63 g/mol, XLogP of -0.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4,4-dimethoxy-1-silylpentyl)urea is sourced from PubChem (CID 174743039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).