5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene

C11H14 — CID 91249557

IUPAC5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1=CC(=C(C)C)C=C1
InChIInChI=1S/C11H14/c1-4-5-10-6-7-11(8-10)9(2)3/h4,6-8H,1,5H2,2-3H3
InChIKeyUGNRPPRLJXULHQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.40
Rot. Bonds2

About 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene

5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene (PubChem CID 91249557) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene
PubChem CID91249557
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1=CC(=C(C)C)C=C1
InChIInChI=1S/C11H14/c1-4-5-10-6-7-11(8-10)9(2)3/h4,6-8H,1,5H2,2-3H3
InChIKeyUGNRPPRLJXULHQ-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene?
The IUPAC name of 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene (CID 91249557) is 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene.
What is the SMILES notation for 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene?
The canonical SMILES for 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene is C=CCC1=CC(=C(C)C)C=C1.
What is the InChIKey of 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene?
The InChIKey is UGNRPPRLJXULHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-5-10-6-7-11(8-10)9(2)3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene?
5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylidene-2-prop-2-enylcyclopenta-1,3-diene is sourced from PubChem (CID 91249557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).