butan-2-ol;2-butoxyethanol

C10H24O3 — CID 118377400

IUPACbutan-2-ol;2-butoxyethanol
SMILESCCC(C)O.CCCCOCCO
InChIInChI=1S/C6H14O2.C4H10O/c1-2-3-5-8-6-4-7;1-3-4(2)5/h7H,2-6H2,1H3;4-5H,3H2,1-2H3
InChIKeyFOYDLIPFMWWBGN-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.57
Rot. Bonds6

About butan-2-ol;2-butoxyethanol

butan-2-ol;2-butoxyethanol (PubChem CID 118377400) has the molecular formula C10H24O3 and a molecular weight of 192.30 g/mol. Its IUPAC name is butan-2-ol;2-butoxyethanol.

Molecular Properties

Compound Namebutan-2-ol;2-butoxyethanol
PubChem CID118377400
Molecular FormulaC10H24O3
Molecular Weight192.30 g/mol
Exact Mass192.17
IUPAC Namebutan-2-ol;2-butoxyethanol
SMILESCCC(C)O.CCCCOCCO
InChIInChI=1S/C6H14O2.C4H10O/c1-2-3-5-8-6-4-7;1-3-4(2)5/h7H,2-6H2,1H3;4-5H,3H2,1-2H3
InChIKeyFOYDLIPFMWWBGN-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-butoxyethanol
CID 8133
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol;molecular nitrogen
CID 86737982
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
CID 159075301
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
butane-2,3-diol;1-butoxybutane
CID 87169993
1-butoxybutane;propane-1,1-diol
CID 87222669
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;2-butoxyethanol?
The IUPAC name of butan-2-ol;2-butoxyethanol (CID 118377400) is butan-2-ol;2-butoxyethanol.
What is the SMILES notation for butan-2-ol;2-butoxyethanol?
The canonical SMILES for butan-2-ol;2-butoxyethanol is CCC(C)O.CCCCOCCO.
What is the InChIKey of butan-2-ol;2-butoxyethanol?
The InChIKey is FOYDLIPFMWWBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H10O/c1-2-3-5-8-6-4-7;1-3-4(2)5/h7H,2-6H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;2-butoxyethanol?
butan-2-ol;2-butoxyethanol has a molecular weight of 192.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;2-butoxyethanol is sourced from PubChem (CID 118377400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).