6-(4-methylpent-3-enyl)naphthalene-1,4-dione

C16H16O2 — CID 5318572

IUPAC6-(4-methylpent-3-enyl)naphthalene-1,4-dione
SMILESCC(C)=CCCc1ccc2c(c1)C(=O)C=CC2=O
InChIInChI=1S/C16H16O2/c1-11(2)4-3-5-12-6-7-13-14(10-12)16(18)9-8-15(13)17/h4,6-10H,3,5H2,1-2H3
InChIKeyLYCONGPDLAMOQE-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.52
Rot. Bonds3

About 6-(4-methylpent-3-enyl)naphthalene-1,4-dione

6-(4-methylpent-3-enyl)naphthalene-1,4-dione (PubChem CID 5318572) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-(4-methylpent-3-enyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name6-(4-methylpent-3-enyl)naphthalene-1,4-dione
PubChem CID5318572
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name6-(4-methylpent-3-enyl)naphthalene-1,4-dione
SMILESCC(C)=CCCc1ccc2c(c1)C(=O)C=CC2=O
InChIInChI=1S/C16H16O2/c1-11(2)4-3-5-12-6-7-13-14(10-12)16(18)9-8-15(13)17/h4,6-10H,3,5H2,1-2H3
InChIKeyLYCONGPDLAMOQE-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpent-3-enyl)naphthalene-1,4-dione?
The IUPAC name of 6-(4-methylpent-3-enyl)naphthalene-1,4-dione (CID 5318572) is 6-(4-methylpent-3-enyl)naphthalene-1,4-dione.
What is the SMILES notation for 6-(4-methylpent-3-enyl)naphthalene-1,4-dione?
The canonical SMILES for 6-(4-methylpent-3-enyl)naphthalene-1,4-dione is CC(C)=CCCc1ccc2c(c1)C(=O)C=CC2=O.
What is the InChIKey of 6-(4-methylpent-3-enyl)naphthalene-1,4-dione?
The InChIKey is LYCONGPDLAMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11(2)4-3-5-12-6-7-13-14(10-12)16(18)9-8-15(13)17/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 6-(4-methylpent-3-enyl)naphthalene-1,4-dione?
6-(4-methylpent-3-enyl)naphthalene-1,4-dione has a molecular weight of 240.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpent-3-enyl)naphthalene-1,4-dione is sourced from PubChem (CID 5318572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).