1,8-bis(trimethoxysilyl)octane-4,5-diamine

C14H36N2O6Si2 — CID 57029504

IUPAC1,8-bis(trimethoxysilyl)octane-4,5-diamine
SMILESCO[Si](CCCC(N)C(N)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)11-7-9-13(15)14(16)10-8-12-24(20-4,21-5)22-6/h13-14H,7-12,15-16H2,1-6H3
InChIKeyIIPWXHLGZIOYLM-UHFFFAOYSA-N
MW384.62 g/mol
LogP0.96
Rot. Bonds15

About 1,8-bis(trimethoxysilyl)octane-4,5-diamine

1,8-bis(trimethoxysilyl)octane-4,5-diamine (PubChem CID 57029504) has the molecular formula C14H36N2O6Si2 and a molecular weight of 384.62 g/mol. Its IUPAC name is 1,8-bis(trimethoxysilyl)octane-4,5-diamine.

Molecular Properties

Compound Name1,8-bis(trimethoxysilyl)octane-4,5-diamine
PubChem CID57029504
Molecular FormulaC14H36N2O6Si2
Molecular Weight384.62 g/mol
Exact Mass384.21
IUPAC Name1,8-bis(trimethoxysilyl)octane-4,5-diamine
SMILESCO[Si](CCCC(N)C(N)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)11-7-9-13(15)14(16)10-8-12-24(20-4,21-5)22-6/h13-14H,7-12,15-16H2,1-6H3
InChIKeyIIPWXHLGZIOYLM-UHFFFAOYSA-N
XLogP0.96
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
3-ethyl-7-trimethoxysilylheptane-3,4-diamine
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3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
trimethoxy(4-methylheptyl)silane
CID 23534240
1-trimethoxysilylhenicos-12-en-4-amine
CID 91011586
1-N',1-N'-bis(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 141251995
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 176610404
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
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CID 87686996

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(trimethoxysilyl)octane-4,5-diamine?
The IUPAC name of 1,8-bis(trimethoxysilyl)octane-4,5-diamine (CID 57029504) is 1,8-bis(trimethoxysilyl)octane-4,5-diamine.
What is the SMILES notation for 1,8-bis(trimethoxysilyl)octane-4,5-diamine?
The canonical SMILES for 1,8-bis(trimethoxysilyl)octane-4,5-diamine is CO[Si](CCCC(N)C(N)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,8-bis(trimethoxysilyl)octane-4,5-diamine?
The InChIKey is IIPWXHLGZIOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)11-7-9-13(15)14(16)10-8-12-24(20-4,21-5)22-6/h13-14H,7-12,15-16H2,1-6H3.
What are the key properties of 1,8-bis(trimethoxysilyl)octane-4,5-diamine?
1,8-bis(trimethoxysilyl)octane-4,5-diamine has a molecular weight of 384.62 g/mol, XLogP of 0.96, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(trimethoxysilyl)octane-4,5-diamine is sourced from PubChem (CID 57029504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).