5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene

C22H32 — CID 142295223

IUPAC5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene
SMILESC=C(CCCC1C=CC=C(CCC)C1)CC1=CCC(C)C=C1
InChIInChI=1S/C22H32/c1-4-7-20-10-6-11-21(17-20)9-5-8-19(3)16-22-14-12-18(2)13-15-22/h6,10-12,14-15,18,21H,3-5,7-9,13,16-17H2,1-2H3
InChIKeyFEEYUKCRWVYONL-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.93
Rot. Bonds8

About 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene

5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene (PubChem CID 142295223) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene
PubChem CID142295223
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene
SMILESC=C(CCCC1C=CC=C(CCC)C1)CC1=CCC(C)C=C1
InChIInChI=1S/C22H32/c1-4-7-20-10-6-11-21(17-20)9-5-8-19(3)16-22-14-12-18(2)13-15-22/h6,10-12,14-15,18,21H,3-5,7-9,13,16-17H2,1-2H3
InChIKeyFEEYUKCRWVYONL-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene with MolForge

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Related Compounds

N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine
CID 143521583
3-(2-cyclohexa-2,4-dien-1-ylethyl)-4-ethyl-1-[3-(4-methylcyclohexa-1,5-dien-1-yl)propyl]pyrrolidine
CID 138507710
3-[5-[6-(4-butylphenyl)hexyl]cyclohexa-1,3-dien-1-yl]propan-1-ol
CID 143599644
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387
5-butyl-1-ethenylcyclohexa-1,3-diene
CID 14764390
N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
CID 162388144
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
5-propylcyclohexa-1,3-dien-1-ol
CID 142071341
5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene
CID 143332137
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene (CID 142295223) is 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene is C=C(CCCC1C=CC=C(CCC)C1)CC1=CCC(C)C=C1.
What is the InChIKey of 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene?
The InChIKey is FEEYUKCRWVYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-4-7-20-10-6-11-21(17-20)9-5-8-19(3)16-22-14-12-18(2)13-15-22/h6,10-12,14-15,18,21H,3-5,7-9,13,16-17H2,1-2H3.
What are the key properties of 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene?
5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene has a molecular weight of 296.50 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene is sourced from PubChem (CID 142295223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).