2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

C17H26O2 — CID 172716812

IUPAC2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESCC(C)(OC(=O)CC1CC2C=CC1C2)C1CCCC1
InChIInChI=1S/C17H26O2/c1-17(2,15-5-3-4-6-15)19-16(18)11-14-10-12-7-8-13(14)9-12/h7-8,12-15H,3-6,9-11H2,1-2H3
InChIKeyFYYAZZXOEUWBJK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds4

About 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate

2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (PubChem CID 172716812) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.

Molecular Properties

Compound Name2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
PubChem CID172716812
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESCC(C)(OC(=O)CC1CC2C=CC1C2)C1CCCC1
InChIInChI=1S/C17H26O2/c1-17(2,15-5-3-4-6-15)19-16(18)11-14-10-12-7-8-13(14)9-12/h7-8,12-15H,3-6,9-11H2,1-2H3
InChIKeyFYYAZZXOEUWBJK-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
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

2-cyclopentylpropan-2-yl 2-(11,12-dioxo-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)acetate
CID 172803468
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012287
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxopropanal
CID 57147896
1-(2-bicyclo[2.2.1]hept-5-enyl)pentan-2-one
CID 59748221
2-cyclohexylpropan-2-yl 5-(2-bicyclo[2.2.1]hept-5-enyl)naphthalene-1-carboxylate
CID 172780327
[4-methyl-1,1-bis(trifluoromethylsulfonyl)pentan-3-yl] 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 58193480
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172844405
ethyl 4-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-3-methylbutanoate
CID 21348826
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The IUPAC name of 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate (CID 172716812) is 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate.
What is the SMILES notation for 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The canonical SMILES for 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is CC(C)(OC(=O)CC1CC2C=CC1C2)C1CCCC1.
What is the InChIKey of 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
The InChIKey is FYYAZZXOEUWBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2,15-5-3-4-6-15)19-16(18)11-14-10-12-7-8-13(14)9-12/h7-8,12-15H,3-6,9-11H2,1-2H3.
What are the key properties of 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate?
2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate has a molecular weight of 262.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate is sourced from PubChem (CID 172716812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).