2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol

C13H20O3 — CID 142423667

IUPAC2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol
SMILESC=C/C=C(\C=C)COCC1CC(O)CCO1
InChIInChI=1S/C13H20O3/c1-3-5-11(4-2)9-15-10-13-8-12(14)6-7-16-13/h3-5,12-14H,1-2,6-10H2/b11-5+
InChIKeyFKKSHJVYKIVYJU-VZUCSPMQSA-N
MW224.30 g/mol
LogP1.84
Rot. Bonds6

About 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol

2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol (PubChem CID 142423667) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol.

Molecular Properties

Compound Name2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol
PubChem CID142423667
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol
SMILESC=C/C=C(\C=C)COCC1CC(O)CCO1
InChIInChI=1S/C13H20O3/c1-3-5-11(4-2)9-15-10-13-8-12(14)6-7-16-13/h3-5,12-14H,1-2,6-10H2/b11-5+
InChIKeyFKKSHJVYKIVYJU-VZUCSPMQSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-hydroxyoxan-2-yl]methyl sulfate
CID 59456784
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
2-(2-hydroxyethyl)oxan-4-ol
CID 123437591
butane;2-ethyloxan-4-ol
CID 156818442
(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol
CID 145051460
2-[(2E,4E)-5-chloro-2-methylhexa-2,4-dienyl]oxan-4-ol
CID 144945979
methanol;2-(2-sulfanylpropyl)oxan-4-ol
CID 145297955
4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-(3,3,3-trifluoropropyl)oxan-4-ol
CID 123196737
(2S,5S)-6-[(4-ethenylphenyl)methoxymethyl]oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018621
(3S)-1-benzyl-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperazine-2,5-dione
CID 144921221

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol?
The IUPAC name of 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol (CID 142423667) is 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol.
What is the SMILES notation for 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol?
The canonical SMILES for 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol is C=C/C=C(\C=C)COCC1CC(O)CCO1.
What is the InChIKey of 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol?
The InChIKey is FKKSHJVYKIVYJU-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-5-11(4-2)9-15-10-13-8-12(14)6-7-16-13/h3-5,12-14H,1-2,6-10H2/b11-5+.
What are the key properties of 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol?
2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol has a molecular weight of 224.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol is sourced from PubChem (CID 142423667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).