(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate

C17H26O4 — CID 157418017

IUPAC(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=CC1(OC(=O)CC(CC)OC(=O)C(=C)C)CCCC1C
InChIInChI=1S/C17H26O4/c1-6-14(20-16(19)12(3)4)11-15(18)21-17(7-2)10-8-9-13(17)5/h7,13-14H,2-3,6,8-11H2,1,4-5H3
InChIKeyJYDZXVGYVPXPQT-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.56
Rot. Bonds7

About (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate

(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 157418017) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Name(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID157418017
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=CC1(OC(=O)CC(CC)OC(=O)C(=C)C)CCCC1C
InChIInChI=1S/C17H26O4/c1-6-14(20-16(19)12(3)4)11-15(18)21-17(7-2)10-8-9-13(17)5/h7,13-14H,2-3,6,8-11H2,1,4-5H3
InChIKeyJYDZXVGYVPXPQT-UHFFFAOYSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-ethenyl-2-methylcyclopentyl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-[4-(4-methylphenyl)oxan-4-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate;[1-oxo-1-(1-phenylcyclohexyl)oxypropan-2-yl] 2-methylprop-2-enoate;[2-oxo-2-(3-thiophen-2-yloxolan-3-yl)oxyethyl] 2-methylprop-2-enoate
CID 159082773
1-(3-ethyloxetan-3-yl)butan-2-yl 2-methylprop-2-enoate
CID 174700232
bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
CID 139823116
[(E)-7-amino-6-methyl-7-oxohept-5-en-3-yl] 2-methylprop-2-enoate
CID 172526451
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
1-(2,6-dimethyloxasilinan-2-yl)propyl 2-methylprop-2-enoate
CID 70402716
[1-(4-fluorophenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(furan-2-yl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;[1-(4-hydroxyphenyl)cyclohexyl] 3-(2-methylprop-2-enoyloxy)pentanoate;(3-phenyloxolan-3-yl) 3-(2-methylprop-2-enoyloxy)pentanoate
CID 161355793
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
(1-ethenyl-2-propan-2-ylcyclohexyl) acetate
CID 13293649
1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893

Frequently Asked Questions

What is the IUPAC name of (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate (CID 157418017) is (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate is C=CC1(OC(=O)CC(CC)OC(=O)C(=C)C)CCCC1C.
What is the InChIKey of (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is JYDZXVGYVPXPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-6-14(20-16(19)12(3)4)11-15(18)21-17(7-2)10-8-9-13(17)5/h7,13-14H,2-3,6,8-11H2,1,4-5H3.
What are the key properties of (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate?
(1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 294.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-2-methylcyclopentyl) 3-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 157418017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).