trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate

C9H14O2 — CID 12537218

IUPACtrans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1C[C@@H](C)[C@H](C(=O)OC)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1
InChIKeyLNAJSHLKFUNCTC-HTQZYQBOSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds1

About trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate

trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate (PubChem CID 12537218) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
PubChem CID12537218
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nametrans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate
SMILESC=C1C[C@@H](C)[C@H](C(=O)OC)C1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1
InChIKeyLNAJSHLKFUNCTC-HTQZYQBOSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate (CID 12537218) is trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate is C=C1C[C@@H](C)[C@H](C(=O)OC)C1.
What is the InChIKey of trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate?
The InChIKey is LNAJSHLKFUNCTC-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)8(5-6)9(10)11-3/h7-8H,1,4-5H2,2-3H3/t7-,8-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate?
trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-methyl-4-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 12537218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).