(E)-1,1-diethoxynon-2-en-4-yne

C13H22O2 — CID 11127544

IUPAC(E)-1,1-diethoxynon-2-en-4-yne
SMILESCCCCC#C/C=C/C(OCC)OCC
InChIInChI=1S/C13H22O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-8H2,1-3H3/b12-11+
InChIKeyVRJKEGFEVIAORK-VAWYXSNFSA-N
MW210.32 g/mol
LogP3.14
Rot. Bonds7

About (E)-1,1-diethoxynon-2-en-4-yne

(E)-1,1-diethoxynon-2-en-4-yne (PubChem CID 11127544) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-1,1-diethoxynon-2-en-4-yne.

Molecular Properties

Compound Name(E)-1,1-diethoxynon-2-en-4-yne
PubChem CID11127544
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(E)-1,1-diethoxynon-2-en-4-yne
SMILESCCCCC#C/C=C/C(OCC)OCC
InChIInChI=1S/C13H22O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-8H2,1-3H3/b12-11+
InChIKeyVRJKEGFEVIAORK-VAWYXSNFSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dodec-5-en-7-yn-4-ol
CID 71331023
(E)-non-2-en-4-yne
CID 5367387
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
dec-2-en-4-yne
CID 54142868
1,1-diethoxyundec-2-ene
CID 3018094
(E)-1,1-diethoxydec-2-ene
CID 6437222
dimethoxy-[(Z)-non-2-en-4-ynyl]borane
CID 135083091
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
CID 102072944
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
1-iodonon-1-en-3-yne
CID 71425479
(E)-undec-3-en-5-yne
CID 5367449

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxynon-2-en-4-yne?
The IUPAC name of (E)-1,1-diethoxynon-2-en-4-yne (CID 11127544) is (E)-1,1-diethoxynon-2-en-4-yne.
What is the SMILES notation for (E)-1,1-diethoxynon-2-en-4-yne?
The canonical SMILES for (E)-1,1-diethoxynon-2-en-4-yne is CCCCC#C/C=C/C(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxynon-2-en-4-yne?
The InChIKey is VRJKEGFEVIAORK-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-8H2,1-3H3/b12-11+.
What are the key properties of (E)-1,1-diethoxynon-2-en-4-yne?
(E)-1,1-diethoxynon-2-en-4-yne has a molecular weight of 210.32 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxynon-2-en-4-yne is sourced from PubChem (CID 11127544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).