1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride

C14H40ClN3OSi4 — CID 159564361

IUPAC1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCCO)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H39N3OSi4.ClH/c1-19(2,3)22(20(4,5)6,21(7,8)9)17(14(15)16)12-10-11-13-18;/h18H,10-13H2,1-9H3,(H3,15,16);1H
InChIKeyMHABFVYGRISWBB-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.57
Rot. Bonds8

About 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride

1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride (PubChem CID 159564361) has the molecular formula C14H40ClN3OSi4 and a molecular weight of 414.29 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride
PubChem CID159564361
Molecular FormulaC14H40ClN3OSi4
Molecular Weight414.29 g/mol
Exact Mass413.19
IUPAC Name1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCCO)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H39N3OSi4.ClH/c1-19(2,3)22(20(4,5)6,21(7,8)9)17(14(15)16)12-10-11-13-18;/h18H,10-13H2,1-9H3,(H3,15,16);1H
InChIKeyMHABFVYGRISWBB-UHFFFAOYSA-N
XLogP3.57
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride?
The IUPAC name of 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride (CID 159564361) is 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride.
What is the SMILES notation for 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride?
The canonical SMILES for 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(CCCCO)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride?
The InChIKey is MHABFVYGRISWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H39N3OSi4.ClH/c1-19(2,3)22(20(4,5)6,21(7,8)9)17(14(15)16)12-10-11-13-18;/h18H,10-13H2,1-9H3,(H3,15,16);1H.
What are the key properties of 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride?
1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride has a molecular weight of 414.29 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-1-tris(trimethylsilyl)silylguanidine;hydrochloride is sourced from PubChem (CID 159564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).