1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane

C20H46O4Si2 — CID 173016836

IUPAC1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane
SMILESCC(C)OC(C)(OC(C)C)[SiH2]CCCC[SiH2]C(C)(OC(C)C)OC(C)C
InChIInChI=1S/C20H46O4Si2/c1-15(2)21-19(9,22-16(3)4)25-13-11-12-14-26-20(10,23-17(5)6)24-18(7)8/h15-18H,11-14,25-26H2,1-10H3
InChIKeyYCFCIDMEPHECEC-UHFFFAOYSA-N
MW406.76 g/mol
LogP3.99
Rot. Bonds15

About 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane

1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane (PubChem CID 173016836) has the molecular formula C20H46O4Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane.

Molecular Properties

Compound Name1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane
PubChem CID173016836
Molecular FormulaC20H46O4Si2
Molecular Weight406.76 g/mol
Exact Mass406.29
IUPAC Name1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane
SMILESCC(C)OC(C)(OC(C)C)[SiH2]CCCC[SiH2]C(C)(OC(C)C)OC(C)C
InChIInChI=1S/C20H46O4Si2/c1-15(2)21-19(9,22-16(3)4)25-13-11-12-14-26-20(10,23-17(5)6)24-18(7)8/h15-18H,11-14,25-26H2,1-10H3
InChIKeyYCFCIDMEPHECEC-UHFFFAOYSA-N
XLogP3.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 53.99
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-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
CID 173017003
4-(1,1-diethoxyethylsilyl)butan-1-amine
CID 71340300
6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane
CID 123437532
3-bromopropyl(1,1-diethoxyethyl)silane
CID 173419111
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
5-methyl-5-propan-2-yloxyhexan-1-ol
CID 54256452
N-methyl-2-(2-methyl-2-propan-2-yloxypropoxy)propan-2-amine
CID 135127192
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
CID 173016785
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
CID 20782608
2-butoxy-2-propan-2-yloxybutane
CID 174800754

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane?
The IUPAC name of 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane (CID 173016836) is 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane.
What is the SMILES notation for 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane?
The canonical SMILES for 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane is CC(C)OC(C)(OC(C)C)[SiH2]CCCC[SiH2]C(C)(OC(C)C)OC(C)C.
What is the InChIKey of 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane?
The InChIKey is YCFCIDMEPHECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O4Si2/c1-15(2)21-19(9,22-16(3)4)25-13-11-12-14-26-20(10,23-17(5)6)24-18(7)8/h15-18H,11-14,25-26H2,1-10H3.
What are the key properties of 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane?
1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane has a molecular weight of 406.76 g/mol, XLogP of 3.99, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane is sourced from PubChem (CID 173016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).