4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid

C14H26O6 — CID 88523584

IUPAC4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid
SMILESCC(C)(C)C1OOC1(C)C.O=C(O)CCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H10O4/c1-7(2,3)6-8(4,5)10-9-6;7-5(8)3-1-2-4-6(9)10/h6H,1-5H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyALCITRHQARXSKT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.86
Rot. Bonds5

About 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid

4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid (PubChem CID 88523584) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid.

Molecular Properties

Compound Name4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid
PubChem CID88523584
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid
SMILESCC(C)(C)C1OOC1(C)C.O=C(O)CCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H10O4/c1-7(2,3)6-8(4,5)10-9-6;7-5(8)3-1-2-4-6(9)10/h6H,1-5H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyALCITRHQARXSKT-UHFFFAOYSA-N
XLogP2.86
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanol;tridecanedioic acid
CID 175511493
chloromethane;pentanedioic acid
CID 159659659
hexanedioic acid;propan-2-one
CID 158520683
3-(1,4-dimethyl-2,3,5,6-tetraoxabicyclo[2.2.1]heptan-7-yl)propanoic acid
CID 42640490
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid?
The IUPAC name of 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid (CID 88523584) is 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid.
What is the SMILES notation for 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid?
The canonical SMILES for 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid is CC(C)(C)C1OOC1(C)C.O=C(O)CCCCC(=O)O.
What is the InChIKey of 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid?
The InChIKey is ALCITRHQARXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H10O4/c1-7(2,3)6-8(4,5)10-9-6;7-5(8)3-1-2-4-6(9)10/h6H,1-5H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid?
4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid has a molecular weight of 290.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-dimethyldioxetane;hexanedioic acid is sourced from PubChem (CID 88523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).