(E)-6-(oxan-2-yloxy)hex-2-en-1-ol

C11H20O3 — CID 13411670

IUPAC(E)-6-(oxan-2-yloxy)hex-2-en-1-ol
SMILESOC/C=C/CCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1,4,11-12H,2-3,5-10H2/b4-1+
InChIKeyJCZHIZCMMKOZQS-DAFODLJHSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds6

About (E)-6-(oxan-2-yloxy)hex-2-en-1-ol

(E)-6-(oxan-2-yloxy)hex-2-en-1-ol (PubChem CID 13411670) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-6-(oxan-2-yloxy)hex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-(oxan-2-yloxy)hex-2-en-1-ol
PubChem CID13411670
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E)-6-(oxan-2-yloxy)hex-2-en-1-ol
SMILESOC/C=C/CCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1,4,11-12H,2-3,5-10H2/b4-1+
InChIKeyJCZHIZCMMKOZQS-DAFODLJHSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-8-(tetrahydropyran-2-yloxy)-octa-2,6-dien-1-ol
CID 5367918
(Z)-4-(Tetrahydro-2H-pyran-2-yl-oxy)but-2-en-1-ol
CID 10975949
7-(Tetrahydro-2h-pyran-2-yloxy)hept-3-en-1-ol
CID 282165
(2Z)-4-(Oxan-2-yloxy)but-2-EN-1-OL
CID 12927815
cis-4-Tetrahydropyranyloxy 2-cyclopentenol
CID 13623252
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(4Z,7Z)-1-(tetrahydropyran-2-yloxy)-4,7-decadiene
CID 10966579
(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
(E)-11-(oxan-2-yloxy)undec-2-en-1-ol
CID 14077179
(Z)-3-iodo-5-(oxan-2-yloxy)pent-2-en-1-ol
CID 10086830

Frequently Asked Questions

What is the IUPAC name of (E)-6-(oxan-2-yloxy)hex-2-en-1-ol?
The IUPAC name of (E)-6-(oxan-2-yloxy)hex-2-en-1-ol (CID 13411670) is (E)-6-(oxan-2-yloxy)hex-2-en-1-ol.
What is the SMILES notation for (E)-6-(oxan-2-yloxy)hex-2-en-1-ol?
The canonical SMILES for (E)-6-(oxan-2-yloxy)hex-2-en-1-ol is OC/C=C/CCCOC1CCCCO1.
What is the InChIKey of (E)-6-(oxan-2-yloxy)hex-2-en-1-ol?
The InChIKey is JCZHIZCMMKOZQS-DAFODLJHSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1,4,11-12H,2-3,5-10H2/b4-1+.
What are the key properties of (E)-6-(oxan-2-yloxy)hex-2-en-1-ol?
(E)-6-(oxan-2-yloxy)hex-2-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(oxan-2-yloxy)hex-2-en-1-ol is sourced from PubChem (CID 13411670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).