[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate

C17H24O2 — CID 10199100

IUPAC[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate
SMILESCC(=O)OC=C=C(C)C/C=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C17H24O2/c1-13(10-12-19-15(3)18)8-9-16-14(2)7-6-11-17(16,4)5/h7,9,12H,6,8,11H2,1-5H3/b16-9+
InChIKeyFKVOGSNBJWKWTI-CXUHLZMHSA-N
MW260.38 g/mol
LogP4.69
Rot. Bonds3

About [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate

[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate (PubChem CID 10199100) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate.

Molecular Properties

Compound Name[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate
PubChem CID10199100
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate
SMILESCC(=O)OC=C=C(C)C/C=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C17H24O2/c1-13(10-12-19-15(3)18)8-9-16-14(2)7-6-11-17(16,4)5/h7,9,12H,6,8,11H2,1-5H3/b16-9+
InChIKeyFKVOGSNBJWKWTI-CXUHLZMHSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate?
The IUPAC name of [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate (CID 10199100) is [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate.
What is the SMILES notation for [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate?
The canonical SMILES for [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate is CC(=O)OC=C=C(C)C/C=C1\C(C)=CCCC1(C)C.
What is the InChIKey of [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate?
The InChIKey is FKVOGSNBJWKWTI-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(10-12-19-15(3)18)8-9-16-14(2)7-6-11-17(16,4)5/h7,9,12H,6,8,11H2,1-5H3/b16-9+.
What are the key properties of [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate?
[(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate has a molecular weight of 260.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-ylidene)penta-1,2-dienyl] acetate is sourced from PubChem (CID 10199100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).