1-but-3-en-2-yloxybut-3-en-2-ol

C8H14O2 — CID 57027447

IUPAC1-but-3-en-2-yloxybut-3-en-2-ol
SMILESC=CC(O)COC(C)C=C
InChIInChI=1S/C8H14O2/c1-4-7(3)10-6-8(9)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyOMSKZHQFLLCLAO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.12
Rot. Bonds5

About 1-but-3-en-2-yloxybut-3-en-2-ol

1-but-3-en-2-yloxybut-3-en-2-ol (PubChem CID 57027447) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-but-3-en-2-yloxybut-3-en-2-ol.

Molecular Properties

Compound Name1-but-3-en-2-yloxybut-3-en-2-ol
PubChem CID57027447
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-but-3-en-2-yloxybut-3-en-2-ol
SMILESC=CC(O)COC(C)C=C
InChIInChI=1S/C8H14O2/c1-4-7(3)10-6-8(9)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyOMSKZHQFLLCLAO-UHFFFAOYSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14903
2-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
2-Propanol, 1-allyloxy-3-isopropoxy-
CID 112464
1-Methoxy-3-(2-propen-1-yloxy)-2-propanol
CID 119795
2-Propanol, 1-(2-propenyloxy)-
CID 542178
2-Methoxy-3-buten-1-OL
CID 2735078
1-[1-Methyl-2-[1-methyl-2-(2-propen-1-yloxy)ethoxy]ethoxy]-2-propanol
CID 22253225
2-[(But-3-en-2-yl)oxy]ethan-1-ol
CID 14693003
1,1-Difluoro-2-prop-2-enoxypenta-1,4-dien-3-ol
CID 134832234
(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
CID 135079442
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yloxybut-3-en-2-ol?
The IUPAC name of 1-but-3-en-2-yloxybut-3-en-2-ol (CID 57027447) is 1-but-3-en-2-yloxybut-3-en-2-ol.
What is the SMILES notation for 1-but-3-en-2-yloxybut-3-en-2-ol?
The canonical SMILES for 1-but-3-en-2-yloxybut-3-en-2-ol is C=CC(O)COC(C)C=C.
What is the InChIKey of 1-but-3-en-2-yloxybut-3-en-2-ol?
The InChIKey is OMSKZHQFLLCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7(3)10-6-8(9)5-2/h4-5,7-9H,1-2,6H2,3H3.
What are the key properties of 1-but-3-en-2-yloxybut-3-en-2-ol?
1-but-3-en-2-yloxybut-3-en-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yloxybut-3-en-2-ol is sourced from PubChem (CID 57027447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).