5-[(1E)-buta-1,3-dienyl]oxolan-2-ol

C8H12O2 — CID 12949552

IUPAC5-[(1E)-buta-1,3-dienyl]oxolan-2-ol
SMILESC=C/C=C/C1CCC(O)O1
InChIInChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h2-4,7-9H,1,5-6H2/b4-3+
InChIKeyWHDDGGPEMCSWLT-ONEGZZNKSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds2

About 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol

5-[(1E)-buta-1,3-dienyl]oxolan-2-ol (PubChem CID 12949552) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol.

Molecular Properties

Compound Name5-[(1E)-buta-1,3-dienyl]oxolan-2-ol
PubChem CID12949552
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-[(1E)-buta-1,3-dienyl]oxolan-2-ol
SMILESC=C/C=C/C1CCC(O)O1
InChIInChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h2-4,7-9H,1,5-6H2/b4-3+
InChIKeyWHDDGGPEMCSWLT-ONEGZZNKSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-5-ethenyloxolan-2-ol
CID 86339358
2-buta-1,3-dienyloxirane
CID 54285331
2-buta-1,3-dienyloxane
CID 150390930
(2R,3R,5R)-2-[(1E)-buta-1,3-dienyl]-5-methyloxolan-3-ol
CID 139588226
2-buta-1,3-dienyl-3-ethenyloxirane
CID 123446892
methyl (E)-3-(6-hydroxyoxan-2-yl)prop-2-enoate
CID 101484989
(2R,5S)-5-methyloxolan-2-ol
CID 23253384
2-buta-1,3-dienyl-4-propyloxolane-3,4-diol
CID 162853192
(2R,5R)-2-ethenyl-5-[(2R,5R)-5-ethenyloxolan-2-yl]oxolane
CID 10607865
(2R,5R,6S)-6-(fluoromethyl)oxane-2,5-diol
CID 25228283
(3E,5S)-5-[(1E)-buta-1,3-dienyl]-3-propylideneoxolan-2-one
CID 162970750
5-methoxy-6-prop-2-enyloxan-2-ol;propane-2,2-diol
CID 153365064

Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol?
The IUPAC name of 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol (CID 12949552) is 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol.
What is the SMILES notation for 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol?
The canonical SMILES for 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol is C=C/C=C/C1CCC(O)O1.
What is the InChIKey of 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol?
The InChIKey is WHDDGGPEMCSWLT-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-4-7-5-6-8(9)10-7/h2-4,7-9H,1,5-6H2/b4-3+.
What are the key properties of 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol?
5-[(1E)-buta-1,3-dienyl]oxolan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-buta-1,3-dienyl]oxolan-2-ol is sourced from PubChem (CID 12949552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).