acetic acid;butane-2,3-diol;ethoxyethane

C10H24O5 — CID 174725682

IUPACacetic acid;butane-2,3-diol;ethoxyethane
SMILESCC(=O)O.CC(O)C(C)O.CCOCC
InChIInChI=1S/C4H10O2.C4H10O.C2H4O2/c1-3(5)4(2)6;1-3-5-4-2;1-2(3)4/h3-6H,1-2H3;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyPYCIZABWSVRAKV-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.88
Rot. Bonds3

About acetic acid;butane-2,3-diol;ethoxyethane

acetic acid;butane-2,3-diol;ethoxyethane (PubChem CID 174725682) has the molecular formula C10H24O5 and a molecular weight of 224.30 g/mol. Its IUPAC name is acetic acid;butane-2,3-diol;ethoxyethane.

Molecular Properties

Compound Nameacetic acid;butane-2,3-diol;ethoxyethane
PubChem CID174725682
Molecular FormulaC10H24O5
Molecular Weight224.30 g/mol
Exact Mass224.16
IUPAC Nameacetic acid;butane-2,3-diol;ethoxyethane
SMILESCC(=O)O.CC(O)C(C)O.CCOCC
InChIInChI=1S/C4H10O2.C4H10O.C2H4O2/c1-3(5)4(2)6;1-3-5-4-2;1-2(3)4/h3-6H,1-2H3;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyPYCIZABWSVRAKV-UHFFFAOYSA-N
XLogP0.88
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
ethoxyethane;3-hydroxybutanoic acid
CID 86729964
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
ethoxyethane;ethyl acetate
CID 87087849
acetic acid;2,2-bis(hydroxymethyl)propane-1,3-diol;ethoxyethane
CID 174687699
acetic acid;bis(butan-2-ol)
CID 139558658
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
ethoxyethane;ethyl acetate;hydrate
CID 86649789
acetic acid;butan-2-ol;ethyl acetate
CID 174593363
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479

Frequently Asked Questions

What is the IUPAC name of acetic acid;butane-2,3-diol;ethoxyethane?
The IUPAC name of acetic acid;butane-2,3-diol;ethoxyethane (CID 174725682) is acetic acid;butane-2,3-diol;ethoxyethane.
What is the SMILES notation for acetic acid;butane-2,3-diol;ethoxyethane?
The canonical SMILES for acetic acid;butane-2,3-diol;ethoxyethane is CC(=O)O.CC(O)C(C)O.CCOCC.
What is the InChIKey of acetic acid;butane-2,3-diol;ethoxyethane?
The InChIKey is PYCIZABWSVRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H10O.C2H4O2/c1-3(5)4(2)6;1-3-5-4-2;1-2(3)4/h3-6H,1-2H3;3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;butane-2,3-diol;ethoxyethane?
acetic acid;butane-2,3-diol;ethoxyethane has a molecular weight of 224.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butane-2,3-diol;ethoxyethane is sourced from PubChem (CID 174725682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).