ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate

C12H20O2 — CID 11830361

IUPACethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCCOC(=O)C1C(=C(C)C)CC[C@H]1C
InChIInChI=1S/C12H20O2/c1-5-14-12(13)11-9(4)6-7-10(11)8(2)3/h9,11H,5-7H2,1-4H3/t9-,11?/m1/s1
InChIKeyBBAPLWXMGDNNPA-BFHBGLAWSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate

ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate (PubChem CID 11830361) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate
PubChem CID11830361
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate
SMILESCCOC(=O)C1C(=C(C)C)CC[C@H]1C
InChIInChI=1S/C12H20O2/c1-5-14-12(13)11-9(4)6-7-10(11)8(2)3/h9,11H,5-7H2,1-4H3/t9-,11?/m1/s1
InChIKeyBBAPLWXMGDNNPA-BFHBGLAWSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate?
The IUPAC name of ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate (CID 11830361) is ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate is CCOC(=O)C1C(=C(C)C)CC[C@H]1C.
What is the InChIKey of ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate?
The InChIKey is BBAPLWXMGDNNPA-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-14-12(13)11-9(4)6-7-10(11)8(2)3/h9,11H,5-7H2,1-4H3/t9-,11?/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate?
ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 11830361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).