3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene

C12H20 — CID 20827784

IUPAC3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(C)(CC)C1=CC(C)=CC1
InChIInChI=1S/C12H20/c1-5-12(4,6-2)11-8-7-10(3)9-11/h7,9H,5-6,8H2,1-4H3
InChIKeyBJEKSCVUPACFET-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds3

About 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene

3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene (PubChem CID 20827784) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene
PubChem CID20827784
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(C)(CC)C1=CC(C)=CC1
InChIInChI=1S/C12H20/c1-5-12(4,6-2)11-8-7-10(3)9-11/h7,9H,5-6,8H2,1-4H3
InChIKeyBJEKSCVUPACFET-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The IUPAC name of 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene (CID 20827784) is 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The canonical SMILES for 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene is CCC(C)(CC)C1=CC(C)=CC1.
What is the InChIKey of 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The InChIKey is BJEKSCVUPACFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-12(4,6-2)11-8-7-10(3)9-11/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene?
3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpentan-3-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 20827784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).