ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)

C32H96N2O8Si2 — CID 158708863

IUPACethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CO.CO.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/2C6H17NO3Si.9C2H6.2CH4O/c2*1-8-11(9-2,10-3)6-4-5-7;11*1-2/h2*4-7H2,1-3H3;9*1-2H3;2*2H,1H3
InChIKeyIILSOIIVDCVPLZ-UHFFFAOYSA-N
MW693.30 g/mol
LogP8.88
Rot. Bonds12

About ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)

ethane;methanol;bis(3-trimethoxysilylpropan-1-amine) (PubChem CID 158708863) has the molecular formula C32H96N2O8Si2 and a molecular weight of 693.30 g/mol. Its IUPAC name is ethane;methanol;bis(3-trimethoxysilylpropan-1-amine).

Molecular Properties

Compound Nameethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
PubChem CID158708863
Molecular FormulaC32H96N2O8Si2
Molecular Weight693.30 g/mol
Exact Mass692.67
IUPAC Nameethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CO.CO.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/2C6H17NO3Si.9C2H6.2CH4O/c2*1-8-11(9-2,10-3)6-4-5-7;11*1-2/h2*4-7H2,1-3H3;9*1-2H3;2*2H,1H3
InChIKeyIILSOIIVDCVPLZ-UHFFFAOYSA-N
XLogP8.88
TPSA147.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.30
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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33-trimethoxysilyltritriacontan-1-amine
CID 87686996
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CID 158654505
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CID 172722891
methanol;toluene;3-trimethoxysilylpropan-1-amine
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3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
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CID 140917139
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CID 87575509

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)?
The IUPAC name of ethane;methanol;bis(3-trimethoxysilylpropan-1-amine) (CID 158708863) is ethane;methanol;bis(3-trimethoxysilylpropan-1-amine).
What is the SMILES notation for ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)?
The canonical SMILES for ethane;methanol;bis(3-trimethoxysilylpropan-1-amine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CO.CO.CO[Si](CCCN)(OC)OC.CO[Si](CCCN)(OC)OC.
What is the InChIKey of ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)?
The InChIKey is IILSOIIVDCVPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H17NO3Si.9C2H6.2CH4O/c2*1-8-11(9-2,10-3)6-4-5-7;11*1-2/h2*4-7H2,1-3H3;9*1-2H3;2*2H,1H3.
What are the key properties of ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)?
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine) has a molecular weight of 693.30 g/mol, XLogP of 8.88, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;bis(3-trimethoxysilylpropan-1-amine) is sourced from PubChem (CID 158708863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).