(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one

C15H24O — CID 101297706

IUPAC(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one
SMILESC/C1=C/CC(C)(C)/C=C\CC(C)C(=O)CC1
InChIInChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-
InChIKeyXWFINABYEHNSEP-CGBKSYCJSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds

About (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one

(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one (PubChem CID 101297706) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one.

Molecular Properties

Compound Name(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one
PubChem CID101297706
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one
SMILESC/C1=C/CC(C)(C)/C=C\CC(C)C(=O)CC1
InChIInChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-
InChIKeyXWFINABYEHNSEP-CGBKSYCJSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

beta-DAMASCONE
CID 5374527
Beta-Isophorone
CID 10108
Tetrahydro-pseudo-ionone
CID 102604
alpha-Damascone
CID 520506
Nerone
CID 35785
1-(5,5-Dimethylcyclohexen-1-yl)pent-4-en-1-one
CID 92606
1,4-Dimethyl-3-cyclohexenyl methyl ketone
CID 65289
Dihydrodehydro-beta-ionone
CID 577126
Dihydro-alpha-ionone
CID 35821
5-Isopropyl-8-methylnona-6,8-dien-2-one, (R-(E))-
CID 16058296
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CID 32052
(E)-1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
CID 6438067

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one?
The IUPAC name of (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one (CID 101297706) is (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one.
What is the SMILES notation for (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one?
The canonical SMILES for (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one is C/C1=C/CC(C)(C)/C=C\CC(C)C(=O)CC1.
What is the InChIKey of (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one?
The InChIKey is XWFINABYEHNSEP-CGBKSYCJSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-.
What are the key properties of (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one?
(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one is sourced from PubChem (CID 101297706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).