1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene

C11H16 — CID 141028101

IUPAC1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC=C1C(C)C
InChIInChI=1S/C11H16/c1-8(2)10-6-5-7-11(10)9(3)4/h5-8H,1-4H3
InChIKeyYWLBZVXCMZPHFH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds1

About 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene

1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 141028101) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID141028101
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC=C1C(C)C
InChIInChI=1S/C11H16/c1-8(2)10-6-5-7-11(10)9(3)4/h5-8H,1-4H3
InChIKeyYWLBZVXCMZPHFH-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene (CID 141028101) is 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C=CC=C1C(C)C.
What is the InChIKey of 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is YWLBZVXCMZPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-8(2)10-6-5-7-11(10)9(3)4/h5-8H,1-4H3.
What are the key properties of 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene?
1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 141028101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).