(5Z)-5-hexa-2,4-diynylidenefuran-2-one

C10H6O2 — CID 5380631

IUPAC(5Z)-5-hexa-2,4-diynylidenefuran-2-one
SMILESCC#CC#C/C=C1/C=CC(=O)O1
InChIInChI=1S/C10H6O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,1H3/b9-6-
InChIKeyYOTOGBLIOFSWLS-TWGQIWQCSA-N
MW158.16 g/mol
LogP1.01
Rot. Bonds

About (5Z)-5-hexa-2,4-diynylidenefuran-2-one

(5Z)-5-hexa-2,4-diynylidenefuran-2-one (PubChem CID 5380631) has the molecular formula C10H6O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is (5Z)-5-hexa-2,4-diynylidenefuran-2-one.

Molecular Properties

Compound Name(5Z)-5-hexa-2,4-diynylidenefuran-2-one
PubChem CID5380631
Molecular FormulaC10H6O2
Molecular Weight158.16 g/mol
Exact Mass158.04
IUPAC Name(5Z)-5-hexa-2,4-diynylidenefuran-2-one
SMILESCC#CC#C/C=C1/C=CC(=O)O1
InChIInChI=1S/C10H6O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,1H3/b9-6-
InChIKeyYOTOGBLIOFSWLS-TWGQIWQCSA-N
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hexa-2,4-diynylidenefuran-2-one?
The IUPAC name of (5Z)-5-hexa-2,4-diynylidenefuran-2-one (CID 5380631) is (5Z)-5-hexa-2,4-diynylidenefuran-2-one.
What is the SMILES notation for (5Z)-5-hexa-2,4-diynylidenefuran-2-one?
The canonical SMILES for (5Z)-5-hexa-2,4-diynylidenefuran-2-one is CC#CC#C/C=C1/C=CC(=O)O1.
What is the InChIKey of (5Z)-5-hexa-2,4-diynylidenefuran-2-one?
The InChIKey is YOTOGBLIOFSWLS-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H6O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h6-8H,1H3/b9-6-.
What are the key properties of (5Z)-5-hexa-2,4-diynylidenefuran-2-one?
(5Z)-5-hexa-2,4-diynylidenefuran-2-one has a molecular weight of 158.16 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hexa-2,4-diynylidenefuran-2-one is sourced from PubChem (CID 5380631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).