methyl 2-cyclopenta-2,4-dien-1-ylacetate

C8H10O2 — CID 12663824

IUPACmethyl 2-cyclopenta-2,4-dien-1-ylacetate
SMILESCOC(=O)CC1C=CC=C1
InChIInChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2-5,7H,6H2,1H3
InChIKeyYPDLBHGTHWIARC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds2

About methyl 2-cyclopenta-2,4-dien-1-ylacetate

methyl 2-cyclopenta-2,4-dien-1-ylacetate (PubChem CID 12663824) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is methyl 2-cyclopenta-2,4-dien-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-cyclopenta-2,4-dien-1-ylacetate
PubChem CID12663824
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namemethyl 2-cyclopenta-2,4-dien-1-ylacetate
SMILESCOC(=O)CC1C=CC=C1
InChIInChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2-5,7H,6H2,1H3
InChIKeyYPDLBHGTHWIARC-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopenta-2,4-dien-1-ylacetate?
The IUPAC name of methyl 2-cyclopenta-2,4-dien-1-ylacetate (CID 12663824) is methyl 2-cyclopenta-2,4-dien-1-ylacetate.
What is the SMILES notation for methyl 2-cyclopenta-2,4-dien-1-ylacetate?
The canonical SMILES for methyl 2-cyclopenta-2,4-dien-1-ylacetate is COC(=O)CC1C=CC=C1.
What is the InChIKey of methyl 2-cyclopenta-2,4-dien-1-ylacetate?
The InChIKey is YPDLBHGTHWIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-cyclopenta-2,4-dien-1-ylacetate?
methyl 2-cyclopenta-2,4-dien-1-ylacetate has a molecular weight of 138.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopenta-2,4-dien-1-ylacetate is sourced from PubChem (CID 12663824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).