2-(4-methoxybut-3-en-2-yloxy)ethanol

C7H14O3 — CID 76540714

IUPAC2-(4-methoxybut-3-en-2-yloxy)ethanol
SMILESCOC=CC(C)OCCO
InChIInChI=1S/C7H14O3/c1-7(3-5-9-2)10-6-4-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyTWNVHXIPWFMTCA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds5

About 2-(4-methoxybut-3-en-2-yloxy)ethanol

2-(4-methoxybut-3-en-2-yloxy)ethanol (PubChem CID 76540714) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(4-methoxybut-3-en-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(4-methoxybut-3-en-2-yloxy)ethanol
PubChem CID76540714
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(4-methoxybut-3-en-2-yloxy)ethanol
SMILESCOC=CC(C)OCCO
InChIInChI=1S/C7H14O3/c1-7(3-5-9-2)10-6-4-8/h3,5,7-8H,4,6H2,1-2H3
InChIKeyTWNVHXIPWFMTCA-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
4-[(Z)-pent-3-en-2-yl]oxybutan-1-ol
CID 143115873
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
2-[hydroxy(methoxy)methoxy]ethanol
CID 88839058
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-(1-hydroperoxypropan-2-yloxy)ethanol
CID 22759520
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybut-3-en-2-yloxy)ethanol?
The IUPAC name of 2-(4-methoxybut-3-en-2-yloxy)ethanol (CID 76540714) is 2-(4-methoxybut-3-en-2-yloxy)ethanol.
What is the SMILES notation for 2-(4-methoxybut-3-en-2-yloxy)ethanol?
The canonical SMILES for 2-(4-methoxybut-3-en-2-yloxy)ethanol is COC=CC(C)OCCO.
What is the InChIKey of 2-(4-methoxybut-3-en-2-yloxy)ethanol?
The InChIKey is TWNVHXIPWFMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(3-5-9-2)10-6-4-8/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-(4-methoxybut-3-en-2-yloxy)ethanol?
2-(4-methoxybut-3-en-2-yloxy)ethanol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybut-3-en-2-yloxy)ethanol is sourced from PubChem (CID 76540714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).