2-dec-3-ynylnaphthalene-1,4-dione

C20H22O2 — CID 165064818

IUPAC2-dec-3-ynylnaphthalene-1,4-dione
SMILESCCCCCCC#CCCC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22O2/c1-2-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)22/h10-11,13-15H,2-6,9,12H2,1H3
InChIKeyXGFFFJJXSSDPBW-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.75
Rot. Bonds6

About 2-dec-3-ynylnaphthalene-1,4-dione

2-dec-3-ynylnaphthalene-1,4-dione (PubChem CID 165064818) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-dec-3-ynylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-dec-3-ynylnaphthalene-1,4-dione
PubChem CID165064818
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-dec-3-ynylnaphthalene-1,4-dione
SMILESCCCCCCC#CCCC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22O2/c1-2-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)22/h10-11,13-15H,2-6,9,12H2,1H3
InChIKeyXGFFFJJXSSDPBW-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-heptylnaphthalene-1,4-dione
CID 3016258
2-hexylnaphthalene-1,4-dione
CID 14200725
2-(oct-3-ynylamino)naphthalene-1,4-dione
CID 146335419
2-(15-hydroxypentadecyl)naphthalene-1,4-dione
CID 14907543
dec-3-ynylbenzene
CID 13130420
5-(1,4-dioxonaphthalen-2-yl)pentane-1-sulfonyl chloride
CID 134558903
2-heptylsulfanylnaphthalene-1,4-dione
CID 57411027
5-chloro-2-dodecylnaphthalene-1,4-dione
CID 21325244
2-[3-[2-(2-methoxyethoxy)ethoxy]propyl]naphthalene-1,4-dione
CID 159661269
2-pentadecylsulfinylnaphthalene-1,4-dione
CID 71652242
N-[3-(1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]octanamide
CID 71574794
2-heptyl-5-methoxynaphthalene-1,4-dione
CID 86065569

Frequently Asked Questions

What is the IUPAC name of 2-dec-3-ynylnaphthalene-1,4-dione?
The IUPAC name of 2-dec-3-ynylnaphthalene-1,4-dione (CID 165064818) is 2-dec-3-ynylnaphthalene-1,4-dione.
What is the SMILES notation for 2-dec-3-ynylnaphthalene-1,4-dione?
The canonical SMILES for 2-dec-3-ynylnaphthalene-1,4-dione is CCCCCCC#CCCC1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-dec-3-ynylnaphthalene-1,4-dione?
The InChIKey is XGFFFJJXSSDPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-4-5-6-7-8-9-12-16-15-19(21)17-13-10-11-14-18(17)20(16)22/h10-11,13-15H,2-6,9,12H2,1H3.
What are the key properties of 2-dec-3-ynylnaphthalene-1,4-dione?
2-dec-3-ynylnaphthalene-1,4-dione has a molecular weight of 294.39 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-3-ynylnaphthalene-1,4-dione is sourced from PubChem (CID 165064818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).