(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol

C14H16O2 — CID 101416718

IUPAC(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#C/C=C/C1CCCCO1
InChIInChI=1S/C14H16O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h2,6,10,13-15H,1,7-8,11-12H2/b10-6+
InChIKeyMIVJWRRWBGYYDS-UXBLZVDNSA-N
MW216.28 g/mol
LogP1.67
Rot. Bonds2

About (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol

(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol (PubChem CID 101416718) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
PubChem CID101416718
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#C/C=C/C1CCCCO1
InChIInChI=1S/C14H16O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h2,6,10,13-15H,1,7-8,11-12H2/b10-6+
InChIKeyMIVJWRRWBGYYDS-UXBLZVDNSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol
CID 163034272
9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
CID 162900625
deca-1,9-dien-4,6-diyne-3,8-diol
CID 10583112
2-buta-1,3-dienyloxane
CID 150390930
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
2-nona-1,7-dien-3,5-diynyloxan-3-ol
CID 551494
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
2-but-1-enyloxane
CID 54120972
(2R)-oxane-2-carbaldehyde
CID 12648700
(2R)-2-[(E)-2-nitroethenyl]oxane
CID 124677206
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
2-[(E)-prop-1-enyl]oxolane
CID 12508233

Frequently Asked Questions

What is the IUPAC name of (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol?
The IUPAC name of (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol (CID 101416718) is (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol.
What is the SMILES notation for (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol?
The canonical SMILES for (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol is C=CC(O)C#CC#C/C=C/C1CCCCO1.
What is the InChIKey of (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol?
The InChIKey is MIVJWRRWBGYYDS-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h2,6,10,13-15H,1,7-8,11-12H2/b10-6+.
What are the key properties of (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol?
(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol has a molecular weight of 216.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol is sourced from PubChem (CID 101416718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).