(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene

C11H16 — CID 163015063

IUPAC(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene
SMILESC=C[C@H]1CC=C[C@H]1/C=C/CC
InChIInChI=1S/C11H16/c1-3-5-7-11-9-6-8-10(11)4-2/h4-7,9-11H,2-3,8H2,1H3/b7-5+/t10-,11+/m0/s1
InChIKeyBEUUCPGMRTUNSM-KKSDUGGKSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds3

About (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene

(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene (PubChem CID 163015063) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene.

Molecular Properties

Compound Name(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene
PubChem CID163015063
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene
SMILESC=C[C@H]1CC=C[C@H]1/C=C/CC
InChIInChI=1S/C11H16/c1-3-5-7-11-9-6-8-10(11)4-2/h4-7,9-11H,2-3,8H2,1H3/b7-5+/t10-,11+/m0/s1
InChIKeyBEUUCPGMRTUNSM-KKSDUGGKSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.33
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 (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene?
The IUPAC name of (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene (CID 163015063) is (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene.
What is the SMILES notation for (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene?
The canonical SMILES for (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene is C=C[C@H]1CC=C[C@H]1/C=C/CC.
What is the InChIKey of (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene?
The InChIKey is BEUUCPGMRTUNSM-KKSDUGGKSA-N. The full InChI is InChI=1S/C11H16/c1-3-5-7-11-9-6-8-10(11)4-2/h4-7,9-11H,2-3,8H2,1H3/b7-5+/t10-,11+/m0/s1.
What are the key properties of (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene?
(3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene has a molecular weight of 148.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(E)-but-1-enyl]-4-ethenylcyclopentene is sourced from PubChem (CID 163015063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).