2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan

C13H10O2 — CID 78125123

IUPAC2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan
SMILESCOC=CC#CC#CC=Cc1ccco1
InChIInChI=1S/C13H10O2/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h6-12H,1H3
InChIKeyGHUBEXJMQWCFNW-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.46
Rot. Bonds2

About 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan

2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan (PubChem CID 78125123) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan.

Molecular Properties

Compound Name2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan
PubChem CID78125123
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan
SMILESCOC=CC#CC#CC=Cc1ccco1
InChIInChI=1S/C13H10O2/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h6-12H,1H3
InChIKeyGHUBEXJMQWCFNW-UHFFFAOYSA-N
XLogP2.46
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.46
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-(2-ethoxyethenyl)furan
CID 173252893
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
2-[(E)-3-[(E)-prop-1-enoxy]prop-1-enyl]furan
CID 46939824
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
furan-2-carbaldehyde;methoxymethane
CID 175302588
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
4-(furan-2-yl)-2-methylbut-3-en-2-ol
CID 71370744
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan?
The IUPAC name of 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan (CID 78125123) is 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan.
What is the SMILES notation for 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan?
The canonical SMILES for 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan is COC=CC#CC#CC=Cc1ccco1.
What is the InChIKey of 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan?
The InChIKey is GHUBEXJMQWCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-14-11-7-5-3-2-4-6-9-13-10-8-12-15-13/h6-12H,1H3.
What are the key properties of 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan?
2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan has a molecular weight of 198.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxyocta-1,7-dien-3,5-diynyl)furan is sourced from PubChem (CID 78125123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).