acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane

C14H26O5 — CID 67270857

IUPACacetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane
SMILESCC(=O)O.CC1COC2(CC2C)C2(CC2C)O1.CO
InChIInChI=1S/C11H18O2.C2H4O2.CH4O/c1-7-4-10(7)11(5-8(11)2)13-9(3)6-12-10;1-2(3)4;1-2/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);2H,1H3
InChIKeyPDJXZBUFLYFHAX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds

About acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane

acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane (PubChem CID 67270857) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane.

Molecular Properties

Compound Nameacetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane
PubChem CID67270857
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Nameacetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane
SMILESCC(=O)O.CC1COC2(CC2C)C2(CC2C)O1.CO
InChIInChI=1S/C11H18O2.C2H4O2.CH4O/c1-7-4-10(7)11(5-8(11)2)13-9(3)6-12-10;1-2(3)4;1-2/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);2H,1H3
InChIKeyPDJXZBUFLYFHAX-UHFFFAOYSA-N
XLogP1.68
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane with MolForge

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Related Compounds

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CID 146547924
8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 67379021
1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one
CID 175532850
azane;carbonic acid;2-methyloxirane
CID 174941118
acetic acid;methanol
CID 173388753
6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid
CID 174901401
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide
CID 4203891
2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane
CID 69112241
acetic acid;adamantane-1-carboxylic acid
CID 67530595
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane?
The IUPAC name of acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane (CID 67270857) is acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane.
What is the SMILES notation for acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane?
The canonical SMILES for acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane is CC(=O)O.CC1COC2(CC2C)C2(CC2C)O1.CO.
What is the InChIKey of acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane?
The InChIKey is PDJXZBUFLYFHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.C2H4O2.CH4O/c1-7-4-10(7)11(5-8(11)2)13-9(3)6-12-10;1-2(3)4;1-2/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);2H,1H3.
What are the key properties of acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane?
acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane has a molecular weight of 274.36 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane is sourced from PubChem (CID 67270857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).