1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne

C14H22O2 — CID 134335544

IUPAC1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne
SMILESCC(C)(C)OCC#CC#CCOC(C)(C)C
InChIInChI=1S/C14H22O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h11-12H2,1-6H3
InChIKeyVYUZXCVSDBCICK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds2

About 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne (PubChem CID 134335544) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne.

Molecular Properties

Compound Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne
PubChem CID134335544
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne
SMILESCC(C)(C)OCC#CC#CCOC(C)(C)C
InChIInChI=1S/C14H22O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h11-12H2,1-6H3
InChIKeyVYUZXCVSDBCICK-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne?
The IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne (CID 134335544) is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne.
What is the SMILES notation for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne?
The canonical SMILES for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne is CC(C)(C)OCC#CC#CCOC(C)(C)C.
What is the InChIKey of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne?
The InChIKey is VYUZXCVSDBCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h11-12H2,1-6H3.
What are the key properties of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne?
1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne has a molecular weight of 222.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne is sourced from PubChem (CID 134335544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).