2,9-dimethoxydeca-2,8-dien-4,6-diyne

C12H14O2 — CID 131864408

IUPAC2,9-dimethoxydeca-2,8-dien-4,6-diyne
SMILESCOC(C)=CC#CC#CC=C(C)OC
InChIInChI=1S/C12H14O2/c1-11(13-3)9-7-5-6-8-10-12(2)14-4/h9-10H,1-4H3
InChIKeyQTOHRIQLEOIGTI-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.09
Rot. Bonds2

About 2,9-dimethoxydeca-2,8-dien-4,6-diyne

2,9-dimethoxydeca-2,8-dien-4,6-diyne (PubChem CID 131864408) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,9-dimethoxydeca-2,8-dien-4,6-diyne.

Molecular Properties

Compound Name2,9-dimethoxydeca-2,8-dien-4,6-diyne
PubChem CID131864408
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,9-dimethoxydeca-2,8-dien-4,6-diyne
SMILESCOC(C)=CC#CC#CC=C(C)OC
InChIInChI=1S/C12H14O2/c1-11(13-3)9-7-5-6-8-10-12(2)14-4/h9-10H,1-4H3
InChIKeyQTOHRIQLEOIGTI-UHFFFAOYSA-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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Related Compounds

2-Methoxy-2-butene
CID 111206
2-Methoxybut-2-ene
CID 5463064
2-Butene, 2-methoxy-
CID 5463063
(2E,4E)-2,5-dimethoxyhexa-2,4-diene
CID 144999235
(E)-2-prop-1-ynoxybut-2-ene
CID 58756632
2-Prop-1-ynoxybut-2-ene
CID 72414257
2,5-Dimethoxyhexa-2,4-diene
CID 91162841
2-Hex-2-en-4-yn-2-yloxyhex-2-en-4-yne
CID 141075794
molecular hydrogen;(E)-2-prop-1-ynoxybut-2-ene
CID 161170063
(2E,8E)-2,9-dimethoxydeca-2,8-dien-4,6-diyne
CID 121009792
(E)-2-but-2-ynoxybut-2-ene
CID 143512893

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The IUPAC name of 2,9-dimethoxydeca-2,8-dien-4,6-diyne (CID 131864408) is 2,9-dimethoxydeca-2,8-dien-4,6-diyne.
What is the SMILES notation for 2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The canonical SMILES for 2,9-dimethoxydeca-2,8-dien-4,6-diyne is COC(C)=CC#CC#CC=C(C)OC.
What is the InChIKey of 2,9-dimethoxydeca-2,8-dien-4,6-diyne?
The InChIKey is QTOHRIQLEOIGTI-UHFFFAOYSA-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.
What are the key properties of 2,9-dimethoxydeca-2,8-dien-4,6-diyne?
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 2,9-dimethoxydeca-2,8-dien-4,6-diyne is sourced from PubChem (CID 131864408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).