butan-1-ol;1-ethoxypropan-2-ol

C9H22O3 — CID 158715656

IUPACbutan-1-ol;1-ethoxypropan-2-ol
SMILESCCCCO.CCOCC(C)O
InChIInChI=1S/C5H12O2.C4H10O/c1-3-7-4-5(2)6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyIJGUGPJWMINEEP-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.18
Rot. Bonds5

About butan-1-ol;1-ethoxypropan-2-ol

butan-1-ol;1-ethoxypropan-2-ol (PubChem CID 158715656) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is butan-1-ol;1-ethoxypropan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;1-ethoxypropan-2-ol
PubChem CID158715656
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Namebutan-1-ol;1-ethoxypropan-2-ol
SMILESCCCCO.CCOCC(C)O
InChIInChI=1S/C5H12O2.C4H10O/c1-3-7-4-5(2)6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3
InChIKeyIJGUGPJWMINEEP-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
(2S)-1-butoxypropan-2-ol
CID 54289557
1-ethoxypropan-2-ol;3-methoxybutan-1-ol
CID 161147161
butan-1-ol;methanol;propan-2-ol
CID 23284119
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697
1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol
CID 159420422
tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
CID 175381751
(2S)-1-octoxypropan-2-ol
CID 55250295
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-tridecoxypropan-2-ol
CID 19798268
1-(butoxymethoxy)propan-2-ol
CID 131855718

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1-ethoxypropan-2-ol?
The IUPAC name of butan-1-ol;1-ethoxypropan-2-ol (CID 158715656) is butan-1-ol;1-ethoxypropan-2-ol.
What is the SMILES notation for butan-1-ol;1-ethoxypropan-2-ol?
The canonical SMILES for butan-1-ol;1-ethoxypropan-2-ol is CCCCO.CCOCC(C)O.
What is the InChIKey of butan-1-ol;1-ethoxypropan-2-ol?
The InChIKey is IJGUGPJWMINEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H10O/c1-3-7-4-5(2)6;1-2-3-4-5/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;1-ethoxypropan-2-ol?
butan-1-ol;1-ethoxypropan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;1-ethoxypropan-2-ol is sourced from PubChem (CID 158715656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).