methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate

C14H24O2 — CID 72593148

IUPACmethyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
SMILESCCC=CCC1C(C)CCC1CC(=O)OC
InChIInChI=1S/C14H24O2/c1-4-5-6-7-13-11(2)8-9-12(13)10-14(15)16-3/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyAUSREOZWRZNKNJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds5

About methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate

methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate (PubChem CID 72593148) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
PubChem CID72593148
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
SMILESCCC=CCC1C(C)CCC1CC(=O)OC
InChIInChI=1S/C14H24O2/c1-4-5-6-7-13-11(2)8-9-12(13)10-14(15)16-3/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyAUSREOZWRZNKNJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
CID 74005258
2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
CID 90951221
2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
CID 155743321
methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
methyl 2-[2-(2,2-dimethoxyethyl)-3-hydroxycyclopentyl]acetate
CID 139644685
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-(4-ethyl-2,3-dihydroxycyclopentyl)acetate
CID 146165035

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate?
The IUPAC name of methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate (CID 72593148) is methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate is CCC=CCC1C(C)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate?
The InChIKey is AUSREOZWRZNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-13-11(2)8-9-12(13)10-14(15)16-3/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate?
methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate is sourced from PubChem (CID 72593148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).