2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate

C11H18O2 — CID 134515966

IUPAC2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate
SMILESCC(=O)OCC[C@@]1(C)C=CC[C@H]1C
InChIInChI=1S/C11H18O2/c1-9-5-4-6-11(9,3)7-8-13-10(2)12/h4,6,9H,5,7-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyWBDCOVLEVCZQAX-MWLCHTKSSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate

2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate (PubChem CID 134515966) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate
PubChem CID134515966
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate
SMILESCC(=O)OCC[C@@]1(C)C=CC[C@H]1C
InChIInChI=1S/C11H18O2/c1-9-5-4-6-11(9,3)7-8-13-10(2)12/h4,6,9H,5,7-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyWBDCOVLEVCZQAX-MWLCHTKSSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate?
The IUPAC name of 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate (CID 134515966) is 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate.
What is the SMILES notation for 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate?
The canonical SMILES for 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate is CC(=O)OCC[C@@]1(C)C=CC[C@H]1C.
What is the InChIKey of 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate?
The InChIKey is WBDCOVLEVCZQAX-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-5-4-6-11(9,3)7-8-13-10(2)12/h4,6,9H,5,7-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate?
2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-1,5-dimethylcyclopent-2-en-1-yl]ethyl acetate is sourced from PubChem (CID 134515966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).