methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate

C14H20O4 — CID 10658460

IUPACmethyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate
SMILESC=CCC1(CC)CCC(OC(C)=O)=C1C(=O)OC
InChIInChI=1S/C14H20O4/c1-5-8-14(6-2)9-7-11(18-10(3)15)12(14)13(16)17-4/h5H,1,6-9H2,2-4H3
InChIKeyHCXCBKSSANPRGK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate

methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate (PubChem CID 10658460) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate
PubChem CID10658460
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate
SMILESC=CCC1(CC)CCC(OC(C)=O)=C1C(=O)OC
InChIInChI=1S/C14H20O4/c1-5-8-14(6-2)9-7-11(18-10(3)15)12(14)13(16)17-4/h5H,1,6-9H2,2-4H3
InChIKeyHCXCBKSSANPRGK-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,5,8a-trimethyl-2-prop-2-enoxy-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
CID 14380803
methoxyethane;3-methoxyprop-1-ene;methyl acetate
CID 158707708
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
1-[(1R)-3,4-dimethyl-1-prop-2-enylcyclohex-3-en-1-yl]ethanone
CID 118389211
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
methyl 2-diethoxyphosphoryloxy-4,4-dimethylcyclohexene-1-carboxylate
CID 11023638
methyl 6-acetyloxy-5-oxo-1-prop-2-enylimidazo[1,2-a]pyrimidine-7-carboxylate
CID 58101170
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
ethyl 4-methyl-2-oxo-1-prop-2-enylcyclohex-3-ene-1-carboxylate
CID 138963660
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
(3S)-3-ethyl-1-hydroxy-3-prop-2-enylpiperidin-2-one
CID 89318251
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate (CID 10658460) is methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate is C=CCC1(CC)CCC(OC(C)=O)=C1C(=O)OC.
What is the InChIKey of methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate?
The InChIKey is HCXCBKSSANPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-8-14(6-2)9-7-11(18-10(3)15)12(14)13(16)17-4/h5H,1,6-9H2,2-4H3.
What are the key properties of methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate?
methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-5-ethyl-5-prop-2-enylcyclopentene-1-carboxylate is sourced from PubChem (CID 10658460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).