(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene

C23H30 — CID 171086588

IUPAC(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene
SMILESCCc1cc(C2=C/CCCC(=C3CC3)/C(C)=C\2C)cc(C)c1C
InChIInChI=1S/C23H30/c1-6-19-14-21(13-15(2)16(19)3)23-10-8-7-9-22(20-11-12-20)17(4)18(23)5/h10,13-14H,6-9,11-12H2,1-5H3/b18-17-,23-10+
InChIKeyMEMNHNXMAUCDCM-KIRLQEIESA-N
MW306.49 g/mol
LogP6.86
Rot. Bonds2

About (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene

(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene (PubChem CID 171086588) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene
PubChem CID171086588
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Name(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene
SMILESCCc1cc(C2=C/CCCC(=C3CC3)/C(C)=C\2C)cc(C)c1C
InChIInChI=1S/C23H30/c1-6-19-14-21(13-15(2)16(19)3)23-10-8-7-9-22(20-11-12-20)17(4)18(23)5/h10,13-14H,6-9,11-12H2,1-5H3/b18-17-,23-10+
InChIKeyMEMNHNXMAUCDCM-KIRLQEIESA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene 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 (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene?
The IUPAC name of (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene (CID 171086588) is (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene?
The canonical SMILES for (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene is CCc1cc(C2=C/CCCC(=C3CC3)/C(C)=C\2C)cc(C)c1C.
What is the InChIKey of (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene?
The InChIKey is MEMNHNXMAUCDCM-KIRLQEIESA-N. The full InChI is InChI=1S/C23H30/c1-6-19-14-21(13-15(2)16(19)3)23-10-8-7-9-22(20-11-12-20)17(4)18(23)5/h10,13-14H,6-9,11-12H2,1-5H3/b18-17-,23-10+.
What are the key properties of (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene?
(1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene has a molecular weight of 306.49 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-8-cyclopropylidene-3-(3-ethyl-4,5-dimethylphenyl)-1,2-dimethylcycloocta-1,3-diene is sourced from PubChem (CID 171086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).