1,6-dimethoxyhexa-2,4-diyne

C8H10O2 — CID 11829512

IUPAC1,6-dimethoxyhexa-2,4-diyne
SMILESCOCC#CC#CCOC
InChIInChI=1S/C8H10O2/c1-9-7-5-3-4-6-8-10-2/h7-8H2,1-2H3
InChIKeyWAPCAIUCRKHCNY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.29
Rot. Bonds2

About 1,6-dimethoxyhexa-2,4-diyne

1,6-dimethoxyhexa-2,4-diyne (PubChem CID 11829512) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,6-dimethoxyhexa-2,4-diyne.

Molecular Properties

Compound Name1,6-dimethoxyhexa-2,4-diyne
PubChem CID11829512
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1,6-dimethoxyhexa-2,4-diyne
SMILESCOCC#CC#CCOC
InChIInChI=1S/C8H10O2/c1-9-7-5-3-4-6-8-10-2/h7-8H2,1-2H3
InChIKeyWAPCAIUCRKHCNY-UHFFFAOYSA-N
XLogP0.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.29
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

1,4-Dimethoxy-2-butyne
CID 542354
1-Methoxy-2-butyne
CID 549876
1-Ethoxyprop-1-yne
CID 640369
1-Ethoxy-1-butyne
CID 5324105
2-Butyne, 1,4-bis(2-propynyloxy)-
CID 10888229
1-Methoxy-2-heptyne
CID 11105374
1-Ethoxybut-2-yne
CID 11768503
Acetylene, bis(2-methoxyethylmercuri)-
CID 46174
1,6-Dioxacyclodeca-3,8-diyne
CID 138774
1,4-Dipropoxybut-2-yne
CID 3017958
1,8-Dimethoxyocta-2,6-diyne
CID 12635231
1,4-Diethoxybut-2-yne
CID 242999

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxyhexa-2,4-diyne?
The IUPAC name of 1,6-dimethoxyhexa-2,4-diyne (CID 11829512) is 1,6-dimethoxyhexa-2,4-diyne.
What is the SMILES notation for 1,6-dimethoxyhexa-2,4-diyne?
The canonical SMILES for 1,6-dimethoxyhexa-2,4-diyne is COCC#CC#CCOC.
What is the InChIKey of 1,6-dimethoxyhexa-2,4-diyne?
The InChIKey is WAPCAIUCRKHCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8-10-2/h7-8H2,1-2H3.
What are the key properties of 1,6-dimethoxyhexa-2,4-diyne?
1,6-dimethoxyhexa-2,4-diyne has a molecular weight of 138.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxyhexa-2,4-diyne is sourced from PubChem (CID 11829512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).