(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol

C11H18O3 — CID 102406712

IUPAC(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
SMILESC=C(/C=C/CO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4+
InChIKeyKCEFHXVKADDZEQ-SNAWJCMRSA-N
MW198.26 g/mol
LogP1.63
Rot. Bonds5

About (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol

(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol (PubChem CID 102406712) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
PubChem CID102406712
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
SMILESC=C(/C=C/CO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4+
InChIKeyKCEFHXVKADDZEQ-SNAWJCMRSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.63
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

2,6-Dimethyl-8-(tetrahydropyran-2-yloxy)-octa-2,6-dien-1-ol
CID 5367918
2-(6-Hydroxy-trans-4-hexenyloxy)tetrahydropyran
CID 13411670
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-en-1-ol
CID 171813194
(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol
CID 10987270
(2E,4S)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-penten-1-ol
CID 12842695
(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol
CID 14888425
(2E,7E)-3,7-dimethyl-9-(oxan-2-yloxy)nona-2,7-dien-1-ol
CID 10400854
(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 11042854
(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
CID 134877458
(2Z)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
CID 134982743
(2E,5E)-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol
CID 10656179

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol (CID 102406712) is (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol is C=C(/C=C/CO)COC1CCCCO1.
What is the InChIKey of (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
The InChIKey is KCEFHXVKADDZEQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h4-5,11-12H,1-3,6-9H2/b5-4+.
What are the key properties of (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol?
(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 102406712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).