(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene

C15H28O2 — CID 24745089

IUPAC(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
SMILESCCCCOCC[C@@H]1CC=C[C@@H]1OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-11-16-13-10-14-8-7-9-15(14)17-12-6-4-2/h7,9,14-15H,3-6,8,10-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyIXGLRFJSMBPNCR-GJZGRUSLSA-N
MW240.39 g/mol
LogP3.95
Rot. Bonds10

About (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene

(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene (PubChem CID 24745089) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
PubChem CID24745089
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
SMILESCCCCOCC[C@@H]1CC=C[C@@H]1OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-11-16-13-10-14-8-7-9-15(14)17-12-6-4-2/h7,9,14-15H,3-6,8,10-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyIXGLRFJSMBPNCR-GJZGRUSLSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene?
The IUPAC name of (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene (CID 24745089) is (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene.
What is the SMILES notation for (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene?
The canonical SMILES for (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene is CCCCOCC[C@@H]1CC=C[C@@H]1OCCCC.
What is the InChIKey of (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene?
The InChIKey is IXGLRFJSMBPNCR-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-11-16-13-10-14-8-7-9-15(14)17-12-6-4-2/h7,9,14-15H,3-6,8,10-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene?
(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene has a molecular weight of 240.39 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene is sourced from PubChem (CID 24745089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).