1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate

C13H20O5 — CID 122595926

IUPAC1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1(OC(=O)OCC)CC1
InChIInChI=1S/C13H20O5/c1-5-16-12(15)18-13(6-7-13)8-10(4)17-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyCFBLBRHCEPLEIF-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.59
Rot. Bonds6

About 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate

1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 122595926) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID122595926
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1(OC(=O)OCC)CC1
InChIInChI=1S/C13H20O5/c1-5-16-12(15)18-13(6-7-13)8-10(4)17-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyCFBLBRHCEPLEIF-UHFFFAOYSA-N
XLogP2.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
ethyl 2-methylprop-2-enoate
CID 130475774
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium ethyl 2-methylprop-2-enoate
CID 23346885
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
propan-2-yl 2-methylprop-2-enoate
CID 146421311

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate (CID 122595926) is 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC1(OC(=O)OCC)CC1.
What is the InChIKey of 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is CFBLBRHCEPLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-5-16-12(15)18-13(6-7-13)8-10(4)17-11(14)9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate?
1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 256.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycarbonyloxycyclopropyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 122595926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).