methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate

C10H14O4 — CID 101370995

IUPACmethyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)C1CC1
InChIInChI=1S/C10H14O4/c1-6(10(12)13-3)9(8-4-5-8)14-7(2)11/h8-9H,1,4-5H2,2-3H3
InChIKeyCLYXNCGTDGDXRR-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds4

About methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate

methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate (PubChem CID 101370995) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate
PubChem CID101370995
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OC)C(OC(C)=O)C1CC1
InChIInChI=1S/C10H14O4/c1-6(10(12)13-3)9(8-4-5-8)14-7(2)11/h8-9H,1,4-5H2,2-3H3
InChIKeyCLYXNCGTDGDXRR-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate (CID 101370995) is methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate is C=C(C(=O)OC)C(OC(C)=O)C1CC1.
What is the InChIKey of methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate?
The InChIKey is CLYXNCGTDGDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(10(12)13-3)9(8-4-5-8)14-7(2)11/h8-9H,1,4-5H2,2-3H3.
What are the key properties of methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate?
methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate is sourced from PubChem (CID 101370995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).