7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione

C16H26O2 — CID 71386545

IUPAC7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione
SMILESC=CC(CC=CC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H26O2/c1-8-12(14(18)16(5,6)7)10-9-11-13(17)15(2,3)4/h8-9,11-12H,1,10H2,2-7H3
InChIKeyWCGBLQHZXMQHBO-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.97
Rot. Bonds5

About 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione

7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione (PubChem CID 71386545) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione.

Molecular Properties

Compound Name7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione
PubChem CID71386545
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione
SMILESC=CC(CC=CC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H26O2/c1-8-12(14(18)16(5,6)7)10-9-11-13(17)15(2,3)4/h8-9,11-12H,1,10H2,2-7H3
InChIKeyWCGBLQHZXMQHBO-UHFFFAOYSA-N
XLogP3.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
2,2,4-trimethylhept-6-en-3-one
CID 130027108
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
1-hydroxy-4,4-dimethylpent-1-en-3-one
CID 40507364
(4E,6E,8E)-2,2,11-trimethyldodeca-4,6,8-trien-3-one
CID 58017756
[(E)-5,5-dimethyl-4-oxohex-2-enyl] acetate
CID 100943080
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
CID 88588845
3-ethenylhex-5-en-2-one
CID 529432
4,4-dimethyl-3-oxo-2-(2-oxopropyl)pentanal
CID 91141080
(Z)-1-chloro-4,4-dimethylpent-1-en-3-one
CID 101417122
(Z)-1-fluoro-4,4-dimethylpent-1-en-3-one
CID 118186770
(E,6S)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 10702067

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione?
The IUPAC name of 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione (CID 71386545) is 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione.
What is the SMILES notation for 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione?
The canonical SMILES for 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione is C=CC(CC=CC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione?
The InChIKey is WCGBLQHZXMQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-8-12(14(18)16(5,6)7)10-9-11-13(17)15(2,3)4/h8-9,11-12H,1,10H2,2-7H3.
What are the key properties of 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione?
7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione has a molecular weight of 250.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2,2,9,9-tetramethyldec-4-ene-3,8-dione is sourced from PubChem (CID 71386545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).