2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol

C14H16O2 — CID 5366271

IUPAC2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol
SMILESC/C=C/C#CC#C/C=C/C1OCCCC1O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3/b3-2+,11-8+
InChIKeyHAMPDEKVXLFKLK-FWTOVJONSA-N
MW216.28 g/mol
LogP1.67
Rot. Bonds1

About 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol

2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol (PubChem CID 5366271) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol.

Molecular Properties

Compound Name2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol
PubChem CID5366271
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol
SMILESC/C=C/C#CC#C/C=C/C1OCCCC1O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3/b3-2+,11-8+
InChIKeyHAMPDEKVXLFKLK-FWTOVJONSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol with MolForge

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Related Compounds

2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (E)-
CID 6445069
Ichthyothereol
CID 6451387
(2R,3S)-2-[(E)-3-hydroxyprop-1-enyl]oxan-3-ol
CID 44397596
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
Chaunopyran A
CID 139589702
2-Methoxy-3-cyclohexen-1-ol
CID 13447771
(2S,4S)-4-[[(1R,2R,5R)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 10998670
(2S,4S)-4-[[(1S,2S,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 15265974
(E,2S)-2-pentan-3-yloxyhept-3-ene-1,7-diol
CID 42612527
6-[(E)-[3-hydroxy-2-(hydroxymethyl)oxan-4-ylidene]methyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 134864924

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol?
The IUPAC name of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol (CID 5366271) is 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol.
What is the SMILES notation for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol?
The canonical SMILES for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol is C/C=C/C#CC#C/C=C/C1OCCCC1O.
What is the InChIKey of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol?
The InChIKey is HAMPDEKVXLFKLK-FWTOVJONSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3/b3-2+,11-8+.
What are the key properties of 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol?
2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol has a molecular weight of 216.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxan-3-ol is sourced from PubChem (CID 5366271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).