[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate

C22H32O2 — CID 91723847

IUPAC[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate
SMILESCCCCCCCCC/C=C/COC(=O)C1CC1c1ccccc1
InChIInChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h10-16,20-21H,2-9,17-18H2,1H3/b14-10+
InChIKeyHTMWCOPTAPSNJJ-GXDHUFHOSA-N
MW328.50 g/mol
LogP6.03
Rot. Bonds12

About [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate

[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate (PubChem CID 91723847) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate
PubChem CID91723847
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate
SMILESCCCCCCCCC/C=C/COC(=O)C1CC1c1ccccc1
InChIInChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h10-16,20-21H,2-9,17-18H2,1H3/b14-10+
InChIKeyHTMWCOPTAPSNJJ-GXDHUFHOSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
bis[(E)-hept-2-enyl] cyclohex-4-ene-1,2-dicarboxylate
CID 101305813
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
2-O-[(E)-undec-2-enyl] 1-O-undecyl benzene-1,2-dicarboxylate
CID 6423847
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
bis[(E)-undec-2-enyl] (E)-but-2-enedioate
CID 91701287
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
4-O-[(E)-dodec-2-enyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740438
[(E)-oct-2-enyl] carbamate
CID 87240762

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate?
The IUPAC name of [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate (CID 91723847) is [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate is CCCCCCCCC/C=C/COC(=O)C1CC1c1ccccc1.
What is the InChIKey of [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate?
The InChIKey is HTMWCOPTAPSNJJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h10-16,20-21H,2-9,17-18H2,1H3/b14-10+.
What are the key properties of [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate?
[(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enyl] 2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 91723847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).