[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate

C15H22O4 — CID 24960116

IUPAC[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OC1CCCC1OC(=O)C=C(C)C
InChIInChI=1S/C15H22O4/c1-10(2)8-14(16)18-12-6-5-7-13(12)19-15(17)9-11(3)4/h8-9,12-13H,5-7H2,1-4H3
InChIKeyOMBSMQSTUSKUOJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.93
Rot. Bonds4

About [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate

[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate (PubChem CID 24960116) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate
PubChem CID24960116
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OC1CCCC1OC(=O)C=C(C)C
InChIInChI=1S/C15H22O4/c1-10(2)8-14(16)18-12-6-5-7-13(12)19-15(17)9-11(3)4/h8-9,12-13H,5-7H2,1-4H3
InChIKeyOMBSMQSTUSKUOJ-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate?
The IUPAC name of [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate (CID 24960116) is [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate.
What is the SMILES notation for [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate?
The canonical SMILES for [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate is CC(C)=CC(=O)OC1CCCC1OC(=O)C=C(C)C.
What is the InChIKey of [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate?
The InChIKey is OMBSMQSTUSKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)8-14(16)18-12-6-5-7-13(12)19-15(17)9-11(3)4/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate?
[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate is sourced from PubChem (CID 24960116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).