2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene

C22H30 — CID 14939026

IUPAC2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(=C(C)C)C=C2)=C1
InChIInChI=1S/C22H30/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-14H,1-8H3
InChIKeyVMIGFLQZBVEJBL-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.70
Rot. Bonds3

About 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene

2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 14939026) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID14939026
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(=C(C)C)C=C2)=C1
InChIInChI=1S/C22H30/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-14H,1-8H3
InChIKeyVMIGFLQZBVEJBL-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene with MolForge

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Related Compounds

2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene
CID 22327789
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
2-ethyl-5-propan-2-ylidenecyclopenta-1,3-diene
CID 12934680
(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
CID 13040099
1-methyl-4-propan-2-ylidenepyridine
CID 21033002
2,2-dimethylpropane;naphthalene
CID 91188461
5-propan-2-ylidene-1-[2-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
CID 101039738
3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-methyl-4-propan-2-ylidene-1H-cyclopenta[b]pyrrole
CID 57320820
1-amino-1-bromoethanol
CID 158110209
2-methylpropan-2-ol;molybdenum
CID 174435313
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;neodymium
CID 154348927

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene (CID 14939026) is 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(=C(C)C)C=C2)=C1.
What is the InChIKey of 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is VMIGFLQZBVEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-14H,1-8H3.
What are the key properties of 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 14939026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).