8-methylideneheptadecane-7,11-dione

C18H32O2 — CID 12950270

IUPAC8-methylideneheptadecane-7,11-dione
SMILESC=C(CCC(=O)CCCCCC)C(=O)CCCCCC
InChIInChI=1S/C18H32O2/c1-4-6-8-10-12-17(19)15-14-16(3)18(20)13-11-9-7-5-2/h3-15H2,1-2H3
InChIKeyVGFKVUFBUHRCBJ-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.40
Rot. Bonds14

About 8-methylideneheptadecane-7,11-dione

8-methylideneheptadecane-7,11-dione (PubChem CID 12950270) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 8-methylideneheptadecane-7,11-dione.

Molecular Properties

Compound Name8-methylideneheptadecane-7,11-dione
PubChem CID12950270
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name8-methylideneheptadecane-7,11-dione
SMILESC=C(CCC(=O)CCCCCC)C(=O)CCCCCC
InChIInChI=1S/C18H32O2/c1-4-6-8-10-12-17(19)15-14-16(3)18(20)13-11-9-7-5-2/h3-15H2,1-2H3
InChIKeyVGFKVUFBUHRCBJ-UHFFFAOYSA-N
XLogP5.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-methylidenetricosan-12-one
CID 146586592
ethene;tridecan-7-one
CID 159715360
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
hexadecane-3,6-dione
CID 154449726
octadecan-4-one
CID 551672

Frequently Asked Questions

What is the IUPAC name of 8-methylideneheptadecane-7,11-dione?
The IUPAC name of 8-methylideneheptadecane-7,11-dione (CID 12950270) is 8-methylideneheptadecane-7,11-dione.
What is the SMILES notation for 8-methylideneheptadecane-7,11-dione?
The canonical SMILES for 8-methylideneheptadecane-7,11-dione is C=C(CCC(=O)CCCCCC)C(=O)CCCCCC.
What is the InChIKey of 8-methylideneheptadecane-7,11-dione?
The InChIKey is VGFKVUFBUHRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-4-6-8-10-12-17(19)15-14-16(3)18(20)13-11-9-7-5-2/h3-15H2,1-2H3.
What are the key properties of 8-methylideneheptadecane-7,11-dione?
8-methylideneheptadecane-7,11-dione has a molecular weight of 280.45 g/mol, XLogP of 5.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylideneheptadecane-7,11-dione is sourced from PubChem (CID 12950270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).