[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate

C19H22O6 — CID 118503797

IUPAC[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(=O)C(=O)OC2(C)CCCC2)cc1
InChIInChI=1S/C19H22O6/c1-13(2)17(21)24-15-8-6-14(7-9-15)23-12-16(20)18(22)25-19(3)10-4-5-11-19/h6-9H,1,4-5,10-12H2,2-3H3
InChIKeyRWQOZJRXIFHSKP-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.99
Rot. Bonds7

About [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate

[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate (PubChem CID 118503797) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate
PubChem CID118503797
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OCC(=O)C(=O)OC2(C)CCCC2)cc1
InChIInChI=1S/C19H22O6/c1-13(2)17(21)24-15-8-6-14(7-9-15)23-12-16(20)18(22)25-19(3)10-4-5-11-19/h6-9H,1,4-5,10-12H2,2-3H3
InChIKeyRWQOZJRXIFHSKP-UHFFFAOYSA-N
XLogP2.99
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 59602382
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
[4-[[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]methyl]phenyl] 2-methylprop-2-enoate
CID 155241279
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
(1-methylcyclopentyl) 2-[4-[chloro(diphenyl)-λ4-sulfanyl]phenoxy]acetate
CID 177003329
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[4-(2-iodopropanoyloxy)phenyl]-[4-[2-(1-methylcyclohexyl)oxy-2-oxoethoxy]phenyl]-phenylsulfanium
CID 156684073
[4-(2-thiocyanatoethoxy)phenyl] 2-methylprop-2-enoate
CID 11708720
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
(1-methylcyclodecyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757971
[4-[4-(2-methylbut-2-enoxymethoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 123733375

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate (CID 118503797) is [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OCC(=O)C(=O)OC2(C)CCCC2)cc1.
What is the InChIKey of [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is RWQOZJRXIFHSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-13(2)17(21)24-15-8-6-14(7-9-15)23-12-16(20)18(22)25-19(3)10-4-5-11-19/h6-9H,1,4-5,10-12H2,2-3H3.
What are the key properties of [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate?
[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 346.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118503797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).