butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane

C46H100O5Si3 — CID 90772696

IUPACbutan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane
SMILESCCOC(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(C)OC(CC)(CC)CC)C(C)COC)C(C)CC
InChIInChI=1S/C46H100O5Si3/c1-23-39(16)54(22,46(35-13,36-14)48-37-15)51-43(29-7,30-8)45(33-11,34-12)53(21,40(17)38-47-18)50-42(27-5,28-6)44(31-9,32-10)52(19,20)49-41(24-2,25-3)26-4/h39-40H,23-38H2,1-22H3
InChIKeyWWWMFHVMNFXPIQ-UHFFFAOYSA-N
MW817.56 g/mol
LogP15.57
Rot. Bonds31

About butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane

butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane (PubChem CID 90772696) has the molecular formula C46H100O5Si3 and a molecular weight of 817.56 g/mol. Its IUPAC name is butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane.

Molecular Properties

Compound Namebutan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane
PubChem CID90772696
Molecular FormulaC46H100O5Si3
Molecular Weight817.56 g/mol
Exact Mass816.69
IUPAC Namebutan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane
SMILESCCOC(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(C)OC(CC)(CC)CC)C(C)COC)C(C)CC
InChIInChI=1S/C46H100O5Si3/c1-23-39(16)54(22,46(35-13,36-14)48-37-15)51-43(29-7,30-8)45(33-11,34-12)53(21,40(17)38-47-18)50-42(27-5,28-6)44(31-9,32-10)52(19,20)49-41(24-2,25-3)26-4/h39-40H,23-38H2,1-22H3
InChIKeyWWWMFHVMNFXPIQ-UHFFFAOYSA-N
XLogP15.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.56
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane?
The IUPAC name of butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane (CID 90772696) is butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane.
What is the SMILES notation for butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane?
The canonical SMILES for butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane is CCOC(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(OC(CC)(CC)C(CC)(CC)[Si](C)(C)OC(CC)(CC)CC)C(C)COC)C(C)CC.
What is the InChIKey of butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane?
The InChIKey is WWWMFHVMNFXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H100O5Si3/c1-23-39(16)54(22,46(35-13,36-14)48-37-15)51-43(29-7,30-8)45(33-11,34-12)53(21,40(17)38-47-18)50-42(27-5,28-6)44(31-9,32-10)52(19,20)49-41(24-2,25-3)26-4/h39-40H,23-38H2,1-22H3.
What are the key properties of butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane?
butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane has a molecular weight of 817.56 g/mol, XLogP of 15.57, 31 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-(3-ethoxypentan-3-yl)-methyl-[1,1,2-triethyl-2-[1-methoxypropan-2-yl-methyl-[1,1,2-triethyl-2-[3-ethylpentan-3-yloxy(dimethyl)silyl]butoxy]silyl]butoxy]silane is sourced from PubChem (CID 90772696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).