(Z)-5,5,6-trimethylhept-2-en-4-one

C10H18O — CID 138709409

IUPAC(Z)-5,5,6-trimethylhept-2-en-4-one
SMILESC/C=C\C(=O)C(C)(C)C(C)C
InChIInChI=1S/C10H18O/c1-6-7-9(11)10(4,5)8(2)3/h6-8H,1-5H3/b7-6-
InChIKeyMJEKQUVNEKRAOD-SREVYHEPSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds3

About (Z)-5,5,6-trimethylhept-2-en-4-one

(Z)-5,5,6-trimethylhept-2-en-4-one (PubChem CID 138709409) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-5,5,6-trimethylhept-2-en-4-one.

Molecular Properties

Compound Name(Z)-5,5,6-trimethylhept-2-en-4-one
PubChem CID138709409
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-5,5,6-trimethylhept-2-en-4-one
SMILESC/C=C\C(=O)C(C)(C)C(C)C
InChIInChI=1S/C10H18O/c1-6-7-9(11)10(4,5)8(2)3/h6-8H,1-5H3/b7-6-
InChIKeyMJEKQUVNEKRAOD-SREVYHEPSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
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

8,8,9-trimethyldeca-3,5-diene-2,7-dione
CID 540322
(E)-1,1,1-trifluoro-2,2-dimethylhex-4-en-3-one
CID 59951353
(E,5R)-5,6,6-trimethylhept-2-en-4-one
CID 134921683
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655
(E)-2,3,3,4-tetramethylhex-4-enamide
CID 145224593
hepta-2,5-dien-4-one
CID 54179619
1,1,1-trifluoropropan-2-yl but-2-enoate
CID 174544413
3,3-dimethylhexan-2-yl (E)-but-2-enoate
CID 129033524
barium(2+);but-2-enoic acid;hydride
CID 173455030
butan-2-yl 2-but-2-enoyloxy-2-methylpropanoate
CID 166141613
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
(E,5R)-5-hydroxy-6-methylhept-2-en-4-one
CID 100976633

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,6-trimethylhept-2-en-4-one?
The IUPAC name of (Z)-5,5,6-trimethylhept-2-en-4-one (CID 138709409) is (Z)-5,5,6-trimethylhept-2-en-4-one.
What is the SMILES notation for (Z)-5,5,6-trimethylhept-2-en-4-one?
The canonical SMILES for (Z)-5,5,6-trimethylhept-2-en-4-one is C/C=C\C(=O)C(C)(C)C(C)C.
What is the InChIKey of (Z)-5,5,6-trimethylhept-2-en-4-one?
The InChIKey is MJEKQUVNEKRAOD-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18O/c1-6-7-9(11)10(4,5)8(2)3/h6-8H,1-5H3/b7-6-.
What are the key properties of (Z)-5,5,6-trimethylhept-2-en-4-one?
(Z)-5,5,6-trimethylhept-2-en-4-one has a molecular weight of 154.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6-trimethylhept-2-en-4-one is sourced from PubChem (CID 138709409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).