methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate

C10H16O3 — CID 15937090

IUPACmethyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC=C(C(=O)OC)[C@@H]1C
InChIInChI=1S/C10H16O3/c1-4-13-9-6-5-8(7(9)2)10(11)12-3/h5,7,9H,4,6H2,1-3H3/t7-,9+/m0/s1
InChIKeyACKIAROJKJTINO-IONNQARKSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate

methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate (PubChem CID 15937090) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate
PubChem CID15937090
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate
SMILESCCO[C@@H]1CC=C(C(=O)OC)[C@@H]1C
InChIInChI=1S/C10H16O3/c1-4-13-9-6-5-8(7(9)2)10(11)12-3/h5,7,9H,4,6H2,1-3H3/t7-,9+/m0/s1
InChIKeyACKIAROJKJTINO-IONNQARKSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate (CID 15937090) is methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate is CCO[C@@H]1CC=C(C(=O)OC)[C@@H]1C.
What is the InChIKey of methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate?
The InChIKey is ACKIAROJKJTINO-IONNQARKSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-13-9-6-5-8(7(9)2)10(11)12-3/h5,7,9H,4,6H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate?
methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-4-ethoxy-5-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 15937090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).