acetic acid;methanol;propan-2-ol;propan-2-one;hydrate

C9H24O6 — CID 174718429

IUPACacetic acid;methanol;propan-2-ol;propan-2-one;hydrate
SMILESCC(=O)O.CC(C)=O.CC(C)O.CO.O
InChIInChI=1S/C3H8O.C3H6O.C2H4O2.CH4O.H2O/c2*1-3(2)4;1-2(3)4;1-2;/h3-4H,1-2H3;1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyLMAFQQVUZVWDES-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.14
Rot. Bonds

About acetic acid;methanol;propan-2-ol;propan-2-one;hydrate

acetic acid;methanol;propan-2-ol;propan-2-one;hydrate (PubChem CID 174718429) has the molecular formula C9H24O6 and a molecular weight of 228.28 g/mol. Its IUPAC name is acetic acid;methanol;propan-2-ol;propan-2-one;hydrate.

Molecular Properties

Compound Nameacetic acid;methanol;propan-2-ol;propan-2-one;hydrate
PubChem CID174718429
Molecular FormulaC9H24O6
Molecular Weight228.28 g/mol
Exact Mass228.16
IUPAC Nameacetic acid;methanol;propan-2-ol;propan-2-one;hydrate
SMILESCC(=O)O.CC(C)=O.CC(C)O.CO.O
InChIInChI=1S/C3H8O.C3H6O.C2H4O2.CH4O.H2O/c2*1-3(2)4;1-2(3)4;1-2;/h3-4H,1-2H3;1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyLMAFQQVUZVWDES-UHFFFAOYSA-N
XLogP-0.14
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158013024
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CID 86590524
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CID 87647185
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CID 174924395
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Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;propan-2-ol;propan-2-one;hydrate?
The IUPAC name of acetic acid;methanol;propan-2-ol;propan-2-one;hydrate (CID 174718429) is acetic acid;methanol;propan-2-ol;propan-2-one;hydrate.
What is the SMILES notation for acetic acid;methanol;propan-2-ol;propan-2-one;hydrate?
The canonical SMILES for acetic acid;methanol;propan-2-ol;propan-2-one;hydrate is CC(=O)O.CC(C)=O.CC(C)O.CO.O.
What is the InChIKey of acetic acid;methanol;propan-2-ol;propan-2-one;hydrate?
The InChIKey is LMAFQQVUZVWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H6O.C2H4O2.CH4O.H2O/c2*1-3(2)4;1-2(3)4;1-2;/h3-4H,1-2H3;1-2H3;1H3,(H,3,4);2H,1H3;1H2.
What are the key properties of acetic acid;methanol;propan-2-ol;propan-2-one;hydrate?
acetic acid;methanol;propan-2-ol;propan-2-one;hydrate has a molecular weight of 228.28 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;propan-2-ol;propan-2-one;hydrate is sourced from PubChem (CID 174718429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).