5,5-bis(methoxymethyl)nona-2,7-diyne

C13H20O2 — CID 15497626

IUPAC5,5-bis(methoxymethyl)nona-2,7-diyne
SMILESCC#CCC(CC#CC)(COC)COC
InChIInChI=1S/C13H20O2/c1-5-7-9-13(11-14-3,12-15-4)10-8-6-2/h9-12H2,1-4H3
InChIKeyRFRPLOREXDBOJM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.09
Rot. Bonds6

About 5,5-bis(methoxymethyl)nona-2,7-diyne

5,5-bis(methoxymethyl)nona-2,7-diyne (PubChem CID 15497626) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)nona-2,7-diyne.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)nona-2,7-diyne
PubChem CID15497626
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5,5-bis(methoxymethyl)nona-2,7-diyne
SMILESCC#CCC(CC#CC)(COC)COC
InChIInChI=1S/C13H20O2/c1-5-7-9-13(11-14-3,12-15-4)10-8-6-2/h9-12H2,1-4H3
InChIKeyRFRPLOREXDBOJM-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(methoxymethyl)hepta-1,6-diyne
CID 11571902
3,3-Bis(propoxymethyl)pentane
CID 21133794
3,3-Bis(methoxymethyl)pentane
CID 21947088
3,3-Bis(ethoxymethyl)pentane
CID 22140515
CID 58680247
CID 58680247
CID 58680248
CID 58680248
3-(But-3-ynoxymethyl)-3-(methoxymethyl)pentane
CID 118372615
1-But-3-ynoxy-2-(but-3-ynoxymethyl)-2-(methoxymethyl)butane
CID 118372629
4-(Methoxymethyl)-4-methylhex-1-yne
CID 123348321
4,4-Bis(butoxymethyl)hepta-1,6-diyne
CID 140220235
3-(Ethoxymethyl)-3-(methoxymethyl)pentane
CID 140268336
6-Methoxy-4,4-dimethylhex-1-yne
CID 178507272

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)nona-2,7-diyne?
The IUPAC name of 5,5-bis(methoxymethyl)nona-2,7-diyne (CID 15497626) is 5,5-bis(methoxymethyl)nona-2,7-diyne.
What is the SMILES notation for 5,5-bis(methoxymethyl)nona-2,7-diyne?
The canonical SMILES for 5,5-bis(methoxymethyl)nona-2,7-diyne is CC#CCC(CC#CC)(COC)COC.
What is the InChIKey of 5,5-bis(methoxymethyl)nona-2,7-diyne?
The InChIKey is RFRPLOREXDBOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-7-9-13(11-14-3,12-15-4)10-8-6-2/h9-12H2,1-4H3.
What are the key properties of 5,5-bis(methoxymethyl)nona-2,7-diyne?
5,5-bis(methoxymethyl)nona-2,7-diyne has a molecular weight of 208.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)nona-2,7-diyne is sourced from PubChem (CID 15497626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).