1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene

C13H19- — CID 91045948

IUPAC1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene
SMILESCC=C1C=C(C=C[CH-]C)C(CC)C1
InChIInChI=1S/C13H19/c1-4-7-8-13-10-11(5-2)9-12(13)6-3/h4-5,7-8,10,12H,6,9H2,1-3H3/q-1
InChIKeyVOLCEBQSVMMOSJ-UHFFFAOYSA-N
MW175.29 g/mol
LogP4.07
Rot. Bonds3

About 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene

1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene (PubChem CID 91045948) has the molecular formula C13H19- and a molecular weight of 175.29 g/mol. Its IUPAC name is 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene.

Molecular Properties

Compound Name1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene
PubChem CID91045948
Molecular FormulaC13H19-
Molecular Weight175.29 g/mol
Exact Mass175.15
IUPAC Name1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene
SMILESCC=C1C=C(C=C[CH-]C)C(CC)C1
InChIInChI=1S/C13H19/c1-4-7-8-13-10-11(5-2)9-12(13)6-3/h4-5,7-8,10,12H,6,9H2,1-3H3/q-1
InChIKeyVOLCEBQSVMMOSJ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene?
The IUPAC name of 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene (CID 91045948) is 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene.
What is the SMILES notation for 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene?
The canonical SMILES for 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene is CC=C1C=C(C=C[CH-]C)C(CC)C1.
What is the InChIKey of 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene?
The InChIKey is VOLCEBQSVMMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19/c1-4-7-8-13-10-11(5-2)9-12(13)6-3/h4-5,7-8,10,12H,6,9H2,1-3H3/q-1.
What are the key properties of 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene?
1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene has a molecular weight of 175.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-5-ethyl-3-ethylidenecyclopentene is sourced from PubChem (CID 91045948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).