butan-2-ol;ethanol

C6H16O2 — CID 87396559

IUPACbutan-2-ol;ethanol
SMILESCCC(C)O.CCO
InChIInChI=1S/C4H10O.C2H6O/c1-3-4(2)5;1-2-3/h4-5H,3H2,1-2H3;3H,2H2,1H3
InChIKeyDTUQBLWITKVVHT-UHFFFAOYSA-N
MW120.19 g/mol
LogP0.78
Rot. Bonds1

About butan-2-ol;ethanol

butan-2-ol;ethanol (PubChem CID 87396559) has the molecular formula C6H16O2 and a molecular weight of 120.19 g/mol. Its IUPAC name is butan-2-ol;ethanol.

Molecular Properties

Compound Namebutan-2-ol;ethanol
PubChem CID87396559
Molecular FormulaC6H16O2
Molecular Weight120.19 g/mol
Exact Mass120.12
IUPAC Namebutan-2-ol;ethanol
SMILESCCC(C)O.CCO
InChIInChI=1S/C4H10O.C2H6O/c1-3-4(2)5;1-2-3/h4-5H,3H2,1-2H3;3H,2H2,1H3
InChIKeyDTUQBLWITKVVHT-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-ol;ethanol
CID 174347632
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
tris(butan-2-ol);gallane
CID 175569742
bis(butan-2-ol);carbanide;tantalum
CID 22416357
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
butan-2-ol;methane;pentan-3-ol
CID 160881005
butan-2-ol;but-2-ene
CID 157060914
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
butan-2-ol;pentane
CID 87560104
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;ethanol?
The IUPAC name of butan-2-ol;ethanol (CID 87396559) is butan-2-ol;ethanol.
What is the SMILES notation for butan-2-ol;ethanol?
The canonical SMILES for butan-2-ol;ethanol is CCC(C)O.CCO.
What is the InChIKey of butan-2-ol;ethanol?
The InChIKey is DTUQBLWITKVVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O/c1-3-4(2)5;1-2-3/h4-5H,3H2,1-2H3;3H,2H2,1H3.
What are the key properties of butan-2-ol;ethanol?
butan-2-ol;ethanol has a molecular weight of 120.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;ethanol is sourced from PubChem (CID 87396559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).