5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene

C15H22O — CID 101348477

IUPAC5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene
SMILESC#CCCC1(OCC=C(C)C)CCC=C1C
InChIInChI=1S/C15H22O/c1-5-6-10-15(11-7-8-14(15)4)16-12-9-13(2)3/h1,8-9H,6-7,10-12H2,2-4H3
InChIKeyATQPSPKGNDNKRZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds5

About 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene

5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene (PubChem CID 101348477) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene.

Molecular Properties

Compound Name5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene
PubChem CID101348477
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene
SMILESC#CCCC1(OCC=C(C)C)CCC=C1C
InChIInChI=1S/C15H22O/c1-5-6-10-15(11-7-8-14(15)4)16-12-9-13(2)3/h1,8-9H,6-7,10-12H2,2-4H3
InChIKeyATQPSPKGNDNKRZ-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene?
The IUPAC name of 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene (CID 101348477) is 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene.
What is the SMILES notation for 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene?
The canonical SMILES for 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene is C#CCCC1(OCC=C(C)C)CCC=C1C.
What is the InChIKey of 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene?
The InChIKey is ATQPSPKGNDNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-6-10-15(11-7-8-14(15)4)16-12-9-13(2)3/h1,8-9H,6-7,10-12H2,2-4H3.
What are the key properties of 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene?
5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynyl-1-methyl-5-(3-methylbut-2-enoxy)cyclopentene is sourced from PubChem (CID 101348477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).