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

C15H24O3 — CID 175045169

IUPAC[2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate
SMILESCC(C)=CCOC1CCCC1OC(=O)C=C(C)C
InChIInChI=1S/C15H24O3/c1-11(2)8-9-17-13-6-5-7-14(13)18-15(16)10-12(3)4/h8,10,13-14H,5-7,9H2,1-4H3
InChIKeyAMVBSMGRJMVQCX-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.40
Rot. Bonds5

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

[2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate (PubChem CID 175045169) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate
PubChem CID175045169
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate
SMILESCC(C)=CCOC1CCCC1OC(=O)C=C(C)C
InChIInChI=1S/C15H24O3/c1-11(2)8-9-17-13-6-5-7-14(13)18-15(16)10-12(3)4/h8,10,13-14H,5-7,9H2,1-4H3
InChIKeyAMVBSMGRJMVQCX-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-(3-methylbut-2-enoxy)cyclohexyl] 3-methylbut-2-enoate
CID 175046158
[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate
CID 24960116
acetyl acetate;[(1R,2R)-2-prop-2-enoxycyclopentyl] acetate;trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 161310879
[(1R,2R)-2-acetyloxycyclopentyl] acetate;[(1R,2R)-2-hydroxycyclopentyl] acetate;trans-(1R,2R)-cyclopentane-1,2-diol;trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 161267552
[2,4,6-trihydroxy-3-(3-methylbutanoyloxy)-5-(3-methylbut-2-enoyloxy)cyclohexyl] 3-methylbutanoate
CID 162985905
(3-methylcyclopentyl) 3-methylbut-2-enoate
CID 131176939
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate
CID 11334083
2-adamantyl 3-methylbut-2-enoate
CID 558117
[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
CID 106825560
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
CID 66838370
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
CID 91774051

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate?
The IUPAC name of [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate (CID 175045169) is [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate.
What is the SMILES notation for [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate?
The canonical SMILES for [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate is CC(C)=CCOC1CCCC1OC(=O)C=C(C)C.
What is the InChIKey of [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate?
The InChIKey is AMVBSMGRJMVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)8-9-17-13-6-5-7-14(13)18-15(16)10-12(3)4/h8,10,13-14H,5-7,9H2,1-4H3.
What are the key properties of [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate?
[2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbut-2-enoxy)cyclopentyl] 3-methylbut-2-enoate is sourced from PubChem (CID 175045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).