acetic acid;bis(butan-2-ol)

C10H24O4 — CID 139558658

IUPACacetic acid;bis(butan-2-ol)
SMILESCC(=O)O.CCC(C)O.CCC(C)O
InChIInChI=1S/2C4H10O.C2H4O2/c2*1-3-4(2)5;1-2(3)4/h2*4-5H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyQSEBRGZKAIZXKQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds2

About acetic acid;bis(butan-2-ol)

acetic acid;bis(butan-2-ol) (PubChem CID 139558658) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is acetic acid;bis(butan-2-ol).

Molecular Properties

Compound Nameacetic acid;bis(butan-2-ol)
PubChem CID139558658
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Nameacetic acid;bis(butan-2-ol)
SMILESCC(=O)O.CCC(C)O.CCC(C)O
InChIInChI=1S/2C4H10O.C2H4O2/c2*1-3-4(2)5;1-2(3)4/h2*4-5H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyQSEBRGZKAIZXKQ-UHFFFAOYSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;butan-2-ol;ethyl acetate
CID 174593363
acetic acid;2-methylbutane
CID 172862544
bis(butan-2-ol);3-oxobutanoic acid
CID 87251027
acetic acid;hexane-2,5-diol
CID 71365730
tris(butan-2-ol);gallane
CID 175569742
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
bis(butan-2-ol);ethyl acetate
CID 139558654
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
acetic acid;tetraethylphosphanium
CID 159003626
butan-2-ol;ethanol
CID 174347632

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(butan-2-ol)?
The IUPAC name of acetic acid;bis(butan-2-ol) (CID 139558658) is acetic acid;bis(butan-2-ol).
What is the SMILES notation for acetic acid;bis(butan-2-ol)?
The canonical SMILES for acetic acid;bis(butan-2-ol) is CC(=O)O.CCC(C)O.CCC(C)O.
What is the InChIKey of acetic acid;bis(butan-2-ol)?
The InChIKey is QSEBRGZKAIZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.C2H4O2/c2*1-3-4(2)5;1-2(3)4/h2*4-5H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;bis(butan-2-ol)?
acetic acid;bis(butan-2-ol) has a molecular weight of 208.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(butan-2-ol) is sourced from PubChem (CID 139558658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).