nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane

C14H14O — CID 90705572

IUPACnona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane
SMILESC#CC#CC#CC#CC.CC1OC1(C)C
InChIInChI=1S/C9H4.C5H10O/c1-3-5-7-9-8-6-4-2;1-4-5(2,3)6-4/h1H,2H3;4H,1-3H3
InChIKeyIYCGTYXQZFIDGL-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.83
Rot. Bonds

About nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane

nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane (PubChem CID 90705572) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane.

Molecular Properties

Compound Namenona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane
PubChem CID90705572
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Namenona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane
SMILESC#CC#CC#CC#CC.CC1OC1(C)C
InChIInChI=1S/C9H4.C5H10O/c1-3-5-7-9-8-6-4-2;1-4-5(2,3)6-4/h1H,2H3;4H,1-3H3
InChIKeyIYCGTYXQZFIDGL-UHFFFAOYSA-N
XLogP1.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tripentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-hexacosayne
CID 20755377
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontayne
CID 21043403
hentetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239-icosahectayne
CID 59401162
trioctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181-hennonacontayne
CID 123903033
deca-1,3,5,7,9-pentayne;dodeca-2,4,6,8,10-pentayne;hexadeca-2,4,6,8,10,12,14-heptayne;hexa-1,3,5-triyne;octa-2,4,6-triyne;tetradeca-1,3,5,7,9,11,13-heptayne
CID 159349668
heptanonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195-octanonacontayne
CID 140801165
pentaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-dotetracontayne
CID 58245595
tritriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131-hexahexacontayne
CID 58354339
hepta-1,3,5-triyne;methylcyclododecane
CID 167645200
1-deuteriononahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67-tetratriacontayne
CID 140807261
acetylene;but-2-yne;cerium;deca-1,3,5,7,9-pentayne;dodeca-2,4,6,8,10-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne;tetradeca-1,3,5,7,9,11,13-heptayne;trideca-1,3,5,7,9,11-hexayne;undeca-1,3,5,7,9-pentayne
CID 161084489
octadeca-1,3,5,7,10,12,14,16-octayne
CID 59330718

Frequently Asked Questions

What is the IUPAC name of nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane?
The IUPAC name of nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane (CID 90705572) is nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane.
What is the SMILES notation for nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane?
The canonical SMILES for nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane is C#CC#CC#CC#CC.CC1OC1(C)C.
What is the InChIKey of nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane?
The InChIKey is IYCGTYXQZFIDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4.C5H10O/c1-3-5-7-9-8-6-4-2;1-4-5(2,3)6-4/h1H,2H3;4H,1-3H3.
What are the key properties of nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane?
nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane has a molecular weight of 198.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,3,5,7-tetrayne;2,2,3-trimethyloxirane is sourced from PubChem (CID 90705572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).