1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea

C27H60N2O7Si2 — CID 170548768

IUPAC1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
SMILESCC(C)O[Si](CCCCNC(=O)NCCCC[Si](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C27H60N2O7Si2/c1-21(2)31-37(32-22(3)4,33-23(5)6)19-15-13-17-28-27(30)29-18-14-16-20-38(34-24(7)8,35-25(9)10)36-26(11)12/h21-26H,13-20H2,1-12H3,(H2,28,29,30)
InChIKeyFDJZLHIXSQQYHH-UHFFFAOYSA-N
MW580.96 g/mol
LogP6.27
Rot. Bonds22

About 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea

1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea (PubChem CID 170548768) has the molecular formula C27H60N2O7Si2 and a molecular weight of 580.96 g/mol. Its IUPAC name is 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea.

Molecular Properties

Compound Name1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
PubChem CID170548768
Molecular FormulaC27H60N2O7Si2
Molecular Weight580.96 g/mol
Exact Mass580.39
IUPAC Name1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
SMILESCC(C)O[Si](CCCCNC(=O)NCCCC[Si](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C27H60N2O7Si2/c1-21(2)31-37(32-22(3)4,33-23(5)6)19-15-13-17-28-27(30)29-18-14-16-20-38(34-24(7)8,35-25(9)10)36-26(11)12/h21-26H,13-20H2,1-12H3,(H2,28,29,30)
InChIKeyFDJZLHIXSQQYHH-UHFFFAOYSA-N
XLogP6.27
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.96
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-(2,3,4,5,6-pentafluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170840
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
N'-[2-tri(propan-2-yloxy)silylethyl]ethane-1,2-diamine
CID 140707750
(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
CID 90172511
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
8-tri(propan-2-yloxy)silyloctane-1-thiol
CID 151398463
N-[3-[diethoxy(propan-2-yloxy)silyl]propyl]prop-2-enamide
CID 141007708
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
4-trimethoxysilylbutylcarbamic acid
CID 18755644
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea?
The IUPAC name of 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea (CID 170548768) is 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea.
What is the SMILES notation for 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea?
The canonical SMILES for 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea is CC(C)O[Si](CCCCNC(=O)NCCCC[Si](OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea?
The InChIKey is FDJZLHIXSQQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H60N2O7Si2/c1-21(2)31-37(32-22(3)4,33-23(5)6)19-15-13-17-28-27(30)29-18-14-16-20-38(34-24(7)8,35-25(9)10)36-26(11)12/h21-26H,13-20H2,1-12H3,(H2,28,29,30).
What are the key properties of 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea?
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea has a molecular weight of 580.96 g/mol, XLogP of 6.27, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea is sourced from PubChem (CID 170548768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).