4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid

C8H22O6Si4 — CID 173105370

IUPAC4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid
SMILESC[Si]1(C)O[SiH2]O[SiH](CCCC(=O)O)O[Si](C)(C)O1
InChIInChI=1S/C8H22O6Si4/c1-17(2)12-15-11-16(7-5-6-8(9)10)13-18(3,4)14-17/h16H,5-7,15H2,1-4H3,(H,9,10)
InChIKeyMGROBOZBJGIEJW-UHFFFAOYSA-N
MW326.60 g/mol
LogP0.55
Rot. Bonds4

About 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid

4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid (PubChem CID 173105370) has the molecular formula C8H22O6Si4 and a molecular weight of 326.60 g/mol. Its IUPAC name is 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid
PubChem CID173105370
Molecular FormulaC8H22O6Si4
Molecular Weight326.60 g/mol
Exact Mass326.05
IUPAC Name4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid
SMILESC[Si]1(C)O[SiH2]O[SiH](CCCC(=O)O)O[Si](C)(C)O1
InChIInChI=1S/C8H22O6Si4/c1-17(2)12-15-11-16(7-5-6-8(9)10)13-18(3,4)14-17/h16H,5-7,15H2,1-4H3,(H,9,10)
InChIKeyMGROBOZBJGIEJW-UHFFFAOYSA-N
XLogP0.55
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.60
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;decanedioic acid
CID 159592525
decanedioic acid;dimethyltin
CID 174830885
pentanoic acid;stannane
CID 173249748
4-[3,5,7,9,11,13,15-heptakis(3-carboxypropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]butanoic acid
CID 121235688
chloromethane;pentanedioic acid
CID 159659659
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
erbium;pentanedioic acid
CID 87931794
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid?
The IUPAC name of 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid (CID 173105370) is 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid.
What is the SMILES notation for 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid?
The canonical SMILES for 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid is C[Si]1(C)O[SiH2]O[SiH](CCCC(=O)O)O[Si](C)(C)O1.
What is the InChIKey of 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid?
The InChIKey is MGROBOZBJGIEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22O6Si4/c1-17(2)12-15-11-16(7-5-6-8(9)10)13-18(3,4)14-17/h16H,5-7,15H2,1-4H3,(H,9,10).
What are the key properties of 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid?
4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid has a molecular weight of 326.60 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butanoic acid is sourced from PubChem (CID 173105370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).