4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane

C28H62O4Si2 — CID 123229038

IUPAC4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
SMILESCCCCOC(CCC[SiH2]CCCC[SiH2]CCCC(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C28H62O4Si2/c1-5-9-19-29-27(30-20-10-6-2)17-15-25-33-23-13-14-24-34-26-16-18-28(31-21-11-7-3)32-22-12-8-4/h27-28H,5-26,33-34H2,1-4H3
InChIKeyBBRODDBBTGGSSM-UHFFFAOYSA-N
MW518.97 g/mol
LogP7.26
Rot. Bonds29

About 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane

4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane (PubChem CID 123229038) has the molecular formula C28H62O4Si2 and a molecular weight of 518.97 g/mol. Its IUPAC name is 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane.

Molecular Properties

Compound Name4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
PubChem CID123229038
Molecular FormulaC28H62O4Si2
Molecular Weight518.97 g/mol
Exact Mass518.42
IUPAC Name4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
SMILESCCCCOC(CCC[SiH2]CCCC[SiH2]CCCC(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C28H62O4Si2/c1-5-9-19-29-27(30-20-10-6-2)17-15-25-33-23-13-14-24-34-26-16-18-28(31-21-11-7-3)32-22-12-8-4/h27-28H,5-26,33-34H2,1-4H3
InChIKeyBBRODDBBTGGSSM-UHFFFAOYSA-N
XLogP7.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.97
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,4,4-tetrabutoxybutane
CID 139887225
4,4-dibutoxybutan-1-amine
CID 173191974
1,1-dibutoxyoctane
CID 54557001
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
4,4-dioctadecoxybutan-1-amine
CID 87498240
1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 172811673
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222

Frequently Asked Questions

What is the IUPAC name of 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane?
The IUPAC name of 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane (CID 123229038) is 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane.
What is the SMILES notation for 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane?
The canonical SMILES for 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane is CCCCOC(CCC[SiH2]CCCC[SiH2]CCCC(OCCCC)OCCCC)OCCCC.
What is the InChIKey of 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane?
The InChIKey is BBRODDBBTGGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62O4Si2/c1-5-9-19-29-27(30-20-10-6-2)17-15-25-33-23-13-14-24-34-26-16-18-28(31-21-11-7-3)32-22-12-8-4/h27-28H,5-26,33-34H2,1-4H3.
What are the key properties of 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane?
4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane has a molecular weight of 518.97 g/mol, XLogP of 7.26, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane is sourced from PubChem (CID 123229038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).