(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol

C11H18O3 — CID 144852096

IUPAC(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
SMILESC/C=C\C=C(\O)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-3-6-10(12)9-14-11-7-4-5-8-13-11/h2-3,6,11-12H,4-5,7-9H2,1H3/b3-2-,10-6+
InChIKeyXJGQSOSFUBGPLG-BWFNYKPYSA-N
MW198.26 g/mol
LogP2.55
Rot. Bonds4

About (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol

(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol (PubChem CID 144852096) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
PubChem CID144852096
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
SMILESC/C=C\C=C(\O)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-3-6-10(12)9-14-11-7-4-5-8-13-11/h2-3,6,11-12H,4-5,7-9H2,1H3/b3-2-,10-6+
InChIKeyXJGQSOSFUBGPLG-BWFNYKPYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-but-2-enoxyoxolane
CID 86088707
2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
CID 135037180
magnesium;2-ethoxyoxane;dichloride
CID 158421621
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol (CID 144852096) is (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol is C/C=C\C=C(\O)COC1CCCCO1.
What is the InChIKey of (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol?
The InChIKey is XJGQSOSFUBGPLG-BWFNYKPYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-6-10(12)9-14-11-7-4-5-8-13-11/h2-3,6,11-12H,4-5,7-9H2,1H3/b3-2-,10-6+.
What are the key properties of (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol?
(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol has a molecular weight of 198.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol is sourced from PubChem (CID 144852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).