5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene

C11H16 — CID 562618

IUPAC5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene
SMILESCC(CC(C)C)=C1C=CC=C1
InChIInChI=1S/C11H16/c1-9(2)8-10(3)11-6-4-5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyMXGVTEAVEDFATH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds2

About 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene

5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene (PubChem CID 562618) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene
PubChem CID562618
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene
SMILESCC(CC(C)C)=C1C=CC=C1
InChIInChI=1S/C11H16/c1-9(2)8-10(3)11-6-4-5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyMXGVTEAVEDFATH-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene (CID 562618) is 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene is CC(CC(C)C)=C1C=CC=C1.
What is the InChIKey of 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene?
The InChIKey is MXGVTEAVEDFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-9(2)8-10(3)11-6-4-5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene?
5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-ylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 562618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).