methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate

C9H14O2 — CID 58200009

IUPACmethyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@H](C)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyZCGKDVOIFNDPFD-LURJTMIESA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate

methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate (PubChem CID 58200009) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
PubChem CID58200009
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@H](C)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyZCGKDVOIFNDPFD-LURJTMIESA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate (CID 58200009) is methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate is COC(=O)C1=C(C)C[C@H](C)C1.
What is the InChIKey of methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate?
The InChIKey is ZCGKDVOIFNDPFD-LURJTMIESA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate?
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate is sourced from PubChem (CID 58200009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).