ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one

C10H18O3 — CID 145154661

IUPACethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one
SMILESCC.CC1=C(C)C(=O)OC(C)(C)O1
InChIInChI=1S/C8H12O3.C2H6/c1-5-6(2)10-8(3,4)11-7(5)9;1-2/h1-4H3;1-2H3
InChIKeyBBIRPTOPCANZPT-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.62
Rot. Bonds

About ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one

ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one (PubChem CID 145154661) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Nameethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one
PubChem CID145154661
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one
SMILESCC.CC1=C(C)C(=O)OC(C)(C)O1
InChIInChI=1S/C8H12O3.C2H6/c1-5-6(2)10-8(3,4)11-7(5)9;1-2/h1-4H3;1-2H3
InChIKeyBBIRPTOPCANZPT-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,6-Tetramethyl-4H-1,3-dioxin-4-one
CID 537695
ethyl (E)-3-ethoxy-2-methylbut-2-enoate
CID 12224759
6-ethyl-2,2,5-trimethyl-4H-1,3-dioxin-4-one
CID 15062832
6-Methoxy-2,2,5-trimethyl-1,3-dioxin-4-one
CID 15327226
2,2,6-Trimethyl-5-(trifluoromethyl)-1,3-dioxin-4-one
CID 15001690
2,5,6-Trimethyl-1,3-dioxin-4-one
CID 21602578
Trimethyl propen triacrylate
CID 129818284
6-Ethenyl-2,2,5-trimethyl-1,3-dioxin-4-one
CID 164675004
(2S)-2,5,6-trimethyl-1,3-dioxin-4-one
CID 642505
ethyl (Z)-3-ethoxy-2-methylbut-2-enoate
CID 12224760
5-Ethyl-2,2,6-trimethyl-2H,4H-1,3-dioxin-4-one
CID 13157022
5-(Bromomethyl)-2,2,6-trimethyl-1,3-dioxin-4-one
CID 18707495

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one?
The IUPAC name of ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one (CID 145154661) is ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one.
What is the SMILES notation for ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one?
The canonical SMILES for ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one is CC.CC1=C(C)C(=O)OC(C)(C)O1.
What is the InChIKey of ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one?
The InChIKey is BBIRPTOPCANZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.C2H6/c1-5-6(2)10-8(3,4)11-7(5)9;1-2/h1-4H3;1-2H3.
What are the key properties of ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one?
ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one has a molecular weight of 186.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,5,6-tetramethyl-1,3-dioxin-4-one is sourced from PubChem (CID 145154661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).