2,4,5,6-tetramethylhept-4-en-3-one

C11H20O — CID 159203948

IUPAC2,4,5,6-tetramethylhept-4-en-3-one
SMILESCC(C(=O)C(C)C)=C(C)C(C)C
InChIInChI=1S/C11H20O/c1-7(2)9(5)10(6)11(12)8(3)4/h7-8H,1-6H3
InChIKeyRFVDIVRULQWGJV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds3

About 2,4,5,6-tetramethylhept-4-en-3-one

2,4,5,6-tetramethylhept-4-en-3-one (PubChem CID 159203948) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,4,5,6-tetramethylhept-4-en-3-one.

Molecular Properties

Compound Name2,4,5,6-tetramethylhept-4-en-3-one
PubChem CID159203948
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,4,5,6-tetramethylhept-4-en-3-one
SMILESCC(C(=O)C(C)C)=C(C)C(C)C
InChIInChI=1S/C11H20O/c1-7(2)9(5)10(6)11(12)8(3)4/h7-8H,1-6H3
InChIKeyRFVDIVRULQWGJV-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3,4-trimethylpent-2-enoic acid
CID 59976239
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
propan-2-yl 2,4-dimethyl-3-propan-2-ylpent-2-enoate
CID 88632004
acetyl 3-methyl-2-oxobutanoate
CID 154209478
(Z)-4,5-diamino-2-methylhex-4-en-3-one
CID 163437311
2,3,4-trimethylpent-2-ene
CID 11270
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
propan-2-yl acetate;hydrochloride
CID 87336432
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
magnesium;hydride;3-methyl-2-oxobutanoic acid
CID 174910214

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethylhept-4-en-3-one?
The IUPAC name of 2,4,5,6-tetramethylhept-4-en-3-one (CID 159203948) is 2,4,5,6-tetramethylhept-4-en-3-one.
What is the SMILES notation for 2,4,5,6-tetramethylhept-4-en-3-one?
The canonical SMILES for 2,4,5,6-tetramethylhept-4-en-3-one is CC(C(=O)C(C)C)=C(C)C(C)C.
What is the InChIKey of 2,4,5,6-tetramethylhept-4-en-3-one?
The InChIKey is RFVDIVRULQWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7(2)9(5)10(6)11(12)8(3)4/h7-8H,1-6H3.
What are the key properties of 2,4,5,6-tetramethylhept-4-en-3-one?
2,4,5,6-tetramethylhept-4-en-3-one has a molecular weight of 168.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethylhept-4-en-3-one is sourced from PubChem (CID 159203948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).