(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne

C12H14O2 — CID 121009792

IUPAC(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne
SMILESCO/C(C)=C/C#CC#C/C=C(\C)OC
InChIInChI=1S/C12H14O2/c1-11(13-3)9-7-5-6-8-10-12(2)14-4/h9-10H,1-4H3/b11-9+,12-10+
InChIKeyQTOHRIQLEOIGTI-WGDLNXRISA-N
MW190.24 g/mol
LogP2.09
Rot. Bonds2

About (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne

(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne (PubChem CID 121009792) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne.

Molecular Properties

Compound Name(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne
PubChem CID121009792
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne
SMILESCO/C(C)=C/C#CC#C/C=C(\C)OC
InChIInChI=1S/C12H14O2/c1-11(13-3)9-7-5-6-8-10-12(2)14-4/h9-10H,1-4H3/b11-9+,12-10+
InChIKeyQTOHRIQLEOIGTI-WGDLNXRISA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The IUPAC name of (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne (CID 121009792) is (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne.
What is the SMILES notation for (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The canonical SMILES for (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne is CO/C(C)=C/C#CC#C/C=C(\C)OC.
What is the InChIKey of (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The InChIKey is QTOHRIQLEOIGTI-WGDLNXRISA-N. The full InChI is InChI=1S/C12H14O2/c1-11(13-3)9-7-5-6-8-10-12(2)14-4/h9-10H,1-4H3/b11-9+,12-10+.
What are the key properties of (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne?
(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne has a molecular weight of 190.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne is sourced from PubChem (CID 121009792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).