[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate

C11H18O2 — CID 14932680

IUPAC[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1C=CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)11(12)13-10-7-5-3-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyHRKUOGLQURQRMC-JTQLQIEISA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate

[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate (PubChem CID 14932680) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
PubChem CID14932680
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1C=CCCCC1
InChIInChI=1S/C11H18O2/c1-9(2)11(12)13-10-7-5-3-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyHRKUOGLQURQRMC-JTQLQIEISA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohept-2-en-1-yl 2,2,2-trifluoroacetate
CID 10465632
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
cyclohex-2-en-1-yl propanoate
CID 10986464
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
cyclohex-2-en-1-yl 2-acetyloxy-2-phenylacetate
CID 14926823
O-[(1S)-cyclohex-2-en-1-yl] N-propan-2-ylcarbamothioate
CID 101177105
(1Z)-3-hydroperoxycyclodecene
CID 10397221

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate?
The IUPAC name of [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate (CID 14932680) is [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate.
What is the SMILES notation for [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate?
The canonical SMILES for [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H]1C=CCCCC1.
What is the InChIKey of [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate?
The InChIKey is HRKUOGLQURQRMC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)11(12)13-10-7-5-3-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate?
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate is sourced from PubChem (CID 14932680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).