2,5-dipentylcyclohexa-2,5-diene-1,4-dione

C16H24O2 — CID 11149332

IUPAC2,5-dipentylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCC1=CC(=O)C(CCCCC)=CC1=O
InChIInChI=1S/C16H24O2/c1-3-5-7-9-13-11-16(18)14(12-15(13)17)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVJAYFYMISGQYRY-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.15
Rot. Bonds8

About 2,5-dipentylcyclohexa-2,5-diene-1,4-dione

2,5-dipentylcyclohexa-2,5-diene-1,4-dione (PubChem CID 11149332) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,5-dipentylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-dipentylcyclohexa-2,5-diene-1,4-dione
PubChem CID11149332
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,5-dipentylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCC1=CC(=O)C(CCCCC)=CC1=O
InChIInChI=1S/C16H24O2/c1-3-5-7-9-13-11-16(18)14(12-15(13)17)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyVJAYFYMISGQYRY-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.15
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': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-hexadecyl-5-methylcyclohexa-2,5-diene-1,4-dione
CID 91743440
2-decyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 15091458
2-heptylcyclohexa-2,5-diene-1,4-dione
CID 154029427
2,6-diheptylcyclohexa-2,5-diene-1,4-dione
CID 169217749
2-hexylnaphthalene-1,4-dione
CID 14200725
3-chloro-2-methyl-5-tridecylcyclohexa-2,5-diene-1,4-dione
CID 14066044
2-heptylnaphthalene-1,4-dione
CID 3016258
4-pentyl-1-sulfanylidenenaphthalen-2-one
CID 87737171
2,3,5-tributylcyclohexa-2,5-diene-1,4-dione
CID 141075230
3-hexylfuran-2,5-dione
CID 15882442
3-docosylpyrrole-2,5-dione
CID 57312811
3-pentadecylpyrrole-2,5-dione
CID 15598201

Frequently Asked Questions

What is the IUPAC name of 2,5-dipentylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-dipentylcyclohexa-2,5-diene-1,4-dione (CID 11149332) is 2,5-dipentylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-dipentylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-dipentylcyclohexa-2,5-diene-1,4-dione is CCCCCC1=CC(=O)C(CCCCC)=CC1=O.
What is the InChIKey of 2,5-dipentylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is VJAYFYMISGQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-7-9-13-11-16(18)14(12-15(13)17)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,5-dipentylcyclohexa-2,5-diene-1,4-dione?
2,5-dipentylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 248.37 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipentylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 11149332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).