[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate

C16H20O2 — CID 10421928

IUPAC[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate
SMILESCC(=O)OC1/C(=C/c2ccccc2)CCC1(C)C
InChIInChI=1S/C16H20O2/c1-12(17)18-15-14(9-10-16(15,2)3)11-13-7-5-4-6-8-13/h4-8,11,15H,9-10H2,1-3H3/b14-11+
InChIKeyQFBVXBZPEOSTNX-SDNWHVSQSA-N
MW244.33 g/mol
LogP3.82
Rot. Bonds2

About [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate

[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate (PubChem CID 10421928) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate.

Molecular Properties

Compound Name[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate
PubChem CID10421928
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate
SMILESCC(=O)OC1/C(=C/c2ccccc2)CCC1(C)C
InChIInChI=1S/C16H20O2/c1-12(17)18-15-14(9-10-16(15,2)3)11-13-7-5-4-6-8-13/h4-8,11,15H,9-10H2,1-3H3/b14-11+
InChIKeyQFBVXBZPEOSTNX-SDNWHVSQSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2Z)-2-benzylidenecyclopentyl] acetate
CID 102458631
[(1S,2Z)-2-benzylidenecyclopentyl] acetate
CID 102458630
(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
CID 10242437
[(2E,3R,3aR,5aS,6aS,8R,10aR,11aS,11bR)-2-benzylidene-8-hydroxy-3a-methyl-3,4,5,5a,6,6a,7,8,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[a]anthracen-3-yl] acetate
CID 90451115
[(3S,5R,8S,9S,10R,13R,14R,16E,17R)-17-acetyloxy-16-benzylidene-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 90350258
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
(4-amino-6-benzylidene-4-ethoxycyclohex-2-en-1-yl) acetate
CID 67412742
[(1S,3aR,5aR,5bR,7aR,9S,10Z,11aR,11bS,13aR,13bR)-10-benzylidene-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate
CID 125032700
[(1S,3aR,5aR,5bS,7aR,9S,10Z,11aR,11bS,13aR,13bR)-10-benzylidene-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate
CID 125032698
[(2E)-2-benzylidene-4,4-dimethylcyclohexyl] N-phenylcarbamate
CID 10359964
1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
CID 143542593
(2E,5E)-2,5-dibenzylidenecyclopentan-1-ol
CID 12642987

Frequently Asked Questions

What is the IUPAC name of [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate?
The IUPAC name of [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate (CID 10421928) is [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate.
What is the SMILES notation for [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate?
The canonical SMILES for [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate is CC(=O)OC1/C(=C/c2ccccc2)CCC1(C)C.
What is the InChIKey of [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate?
The InChIKey is QFBVXBZPEOSTNX-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(17)18-15-14(9-10-16(15,2)3)11-13-7-5-4-6-8-13/h4-8,11,15H,9-10H2,1-3H3/b14-11+.
What are the key properties of [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate?
[(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate has a molecular weight of 244.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-5-benzylidene-2,2-dimethylcyclopentyl] acetate is sourced from PubChem (CID 10421928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).