9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate

C16H18O3 — CID 162900625

IUPAC9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CC=CC1CCCCO1
InChIInChI=1S/C16H18O3/c1-15(17)18-13-9-6-4-2-3-5-7-11-16-12-8-10-14-19-16/h6-7,9,11,16H,8,10,12-14H2,1H3
InChIKeyPMTALIRSEHUJMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds3

About 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate

9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate (PubChem CID 162900625) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate.

Molecular Properties

Compound Name9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
PubChem CID162900625
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
SMILESCC(=O)OCC=CC#CC#CC=CC1CCCCO1
InChIInChI=1S/C16H18O3/c1-15(17)18-13-9-6-4-2-3-5-7-11-16-12-8-10-14-19-16/h6-7,9,11,16H,8,10,12-14H2,1H3
InChIKeyPMTALIRSEHUJMN-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
CID 101416718
dec-2-en-4,6-diynyl acetate
CID 78385189
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
CID 15327120
ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
CID 102285322
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
2-but-1-enyloxane
CID 54120972
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
[(E,6S)-6,7-bis(oxan-2-yloxy)hept-2-enyl] acetate
CID 11394180
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate?
The IUPAC name of 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate (CID 162900625) is 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate.
What is the SMILES notation for 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate?
The canonical SMILES for 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate is CC(=O)OCC=CC#CC#CC=CC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate?
The InChIKey is PMTALIRSEHUJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-15(17)18-13-9-6-4-2-3-5-7-11-16-12-8-10-14-19-16/h6-7,9,11,16H,8,10,12-14H2,1H3.
What are the key properties of 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate?
9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate has a molecular weight of 258.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate is sourced from PubChem (CID 162900625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).