(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene

C11H14 — CID 163104392

IUPAC(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene
SMILESC=C/C=C\[C@H]1C=CC[C@@H]1C=C
InChIInChI=1S/C11H14/c1-3-5-7-11-9-6-8-10(11)4-2/h3-7,9-11H,1-2,8H2/b7-5-/t10-,11-/m0/s1
InChIKeyIDAWUYBDTOACFE-MGVUPCTHSA-N
MW146.23 g/mol
LogP3.11
Rot. Bonds3

About (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene

(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene (PubChem CID 163104392) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene.

Molecular Properties

Compound Name(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene
PubChem CID163104392
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene
SMILESC=C/C=C\[C@H]1C=CC[C@@H]1C=C
InChIInChI=1S/C11H14/c1-3-5-7-11-9-6-8-10(11)4-2/h3-7,9-11H,1-2,8H2/b7-5-/t10-,11-/m0/s1
InChIKeyIDAWUYBDTOACFE-MGVUPCTHSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene?
The IUPAC name of (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene (CID 163104392) is (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene.
What is the SMILES notation for (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene?
The canonical SMILES for (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene is C=C/C=C\[C@H]1C=CC[C@@H]1C=C.
What is the InChIKey of (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene?
The InChIKey is IDAWUYBDTOACFE-MGVUPCTHSA-N. The full InChI is InChI=1S/C11H14/c1-3-5-7-11-9-6-8-10(11)4-2/h3-7,9-11H,1-2,8H2/b7-5-/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene?
(3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene has a molecular weight of 146.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(1Z)-buta-1,3-dienyl]-4-ethenylcyclopentene is sourced from PubChem (CID 163104392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).