(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol

C13H16O2 — CID 101032342

IUPAC(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol
SMILESOCC#C/C=C/C#CCC1CCCCO1
InChIInChI=1S/C13H16O2/c14-11-7-4-2-1-3-5-9-13-10-6-8-12-15-13/h1-2,13-14H,6,8-12H2/b2-1+
InChIKeyMPURUZAWAPKXRI-OWOJBTEDSA-N
MW204.27 g/mol
LogP1.50
Rot. Bonds1

About (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol

(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol (PubChem CID 101032342) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol.

Molecular Properties

Compound Name(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol
PubChem CID101032342
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol
SMILESOCC#C/C=C/C#CCC1CCCCO1
InChIInChI=1S/C13H16O2/c14-11-7-4-2-1-3-5-9-13-10-6-8-12-15-13/h1-2,13-14H,6,8-12H2/b2-1+
InChIKeyMPURUZAWAPKXRI-OWOJBTEDSA-N
XLogP1.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol?
The IUPAC name of (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol (CID 101032342) is (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol.
What is the SMILES notation for (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol?
The canonical SMILES for (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol is OCC#C/C=C/C#CCC1CCCCO1.
What is the InChIKey of (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol?
The InChIKey is MPURUZAWAPKXRI-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H16O2/c14-11-7-4-2-1-3-5-9-13-10-6-8-12-15-13/h1-2,13-14H,6,8-12H2/b2-1+.
What are the key properties of (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol?
(E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(oxan-2-yl)oct-4-en-2,6-diyn-1-ol is sourced from PubChem (CID 101032342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).