5,5-dimethylcyclopenta-1,3-diene;ethane

C11H22 — CID 91022603

IUPAC5,5-dimethylcyclopenta-1,3-diene;ethane
SMILESCC.CC.CC1(C)C=CC=C1
InChIInChI=1S/C7H10.2C2H6/c1-7(2)5-3-4-6-7;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyJKYKCHICGJEZFP-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.19
Rot. Bonds

About 5,5-dimethylcyclopenta-1,3-diene;ethane

5,5-dimethylcyclopenta-1,3-diene;ethane (PubChem CID 91022603) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 5,5-dimethylcyclopenta-1,3-diene;ethane.

Molecular Properties

Compound Name5,5-dimethylcyclopenta-1,3-diene;ethane
PubChem CID91022603
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name5,5-dimethylcyclopenta-1,3-diene;ethane
SMILESCC.CC.CC1(C)C=CC=C1
InChIInChI=1S/C7H10.2C2H6/c1-7(2)5-3-4-6-7;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeyJKYKCHICGJEZFP-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,5-dimethylcyclopenta-1,3-diene;ethane 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

5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
CID 159015960
CID 159015960
methanol;5-methyl-5-[(1-methylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium
CID 154439400
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
2,2,5,5-tetramethylazocine
CID 123550534
1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
CID 123396645
5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
CID 23052226
3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
CID 170198624
5,5-dimethyl-2H-azocine
CID 123361504
3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1λ3-iodacyclohexa-1,3,5-triene
CID 163543681
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 178082899

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclopenta-1,3-diene;ethane?
The IUPAC name of 5,5-dimethylcyclopenta-1,3-diene;ethane (CID 91022603) is 5,5-dimethylcyclopenta-1,3-diene;ethane.
What is the SMILES notation for 5,5-dimethylcyclopenta-1,3-diene;ethane?
The canonical SMILES for 5,5-dimethylcyclopenta-1,3-diene;ethane is CC.CC.CC1(C)C=CC=C1.
What is the InChIKey of 5,5-dimethylcyclopenta-1,3-diene;ethane?
The InChIKey is JKYKCHICGJEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.2C2H6/c1-7(2)5-3-4-6-7;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of 5,5-dimethylcyclopenta-1,3-diene;ethane?
5,5-dimethylcyclopenta-1,3-diene;ethane has a molecular weight of 154.30 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclopenta-1,3-diene;ethane is sourced from PubChem (CID 91022603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).