methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate

C14H21BrO2 — CID 67797243

IUPACmethyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=CCC[C@@H]1CBr
InChIInChI=1S/C14H21BrO2/c1-17-14(16)10-5-3-2-4-7-12-8-6-9-13(12)11-15/h2,4,8,13H,3,5-7,9-11H2,1H3/b4-2-/t13-/m1/s1
InChIKeyYZZLBDWHIHUKLV-QDOCKXBDSA-N
MW301.22 g/mol
LogP4.01
Rot. Bonds7

About methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate

methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate (PubChem CID 67797243) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate
PubChem CID67797243
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Namemethyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=CCC[C@@H]1CBr
InChIInChI=1S/C14H21BrO2/c1-17-14(16)10-5-3-2-4-7-12-8-6-9-13(12)11-15/h2,4,8,13H,3,5-7,9-11H2,1H3/b4-2-/t13-/m1/s1
InChIKeyYZZLBDWHIHUKLV-QDOCKXBDSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate
CID 67796297
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
methyl (Z)-undec-5-enoate
CID 11469683
methyl 7-[(4R,5R)-4-hydroxy-5-(3-hydroxy-3-methyloct-1-enyl)cyclopenten-1-yl]hept-5-enoate
CID 70484272
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl dodec-5-enoate
CID 86010951
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl dec-5-enoate
CID 54534253
methyl undeca-5,9-dienoate
CID 57288687
dimethyl (E)-triacont-15-enedioate
CID 10767955
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate (CID 67797243) is methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate is COC(=O)CCC/C=C\CC1=CCC[C@@H]1CBr.
What is the InChIKey of methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate?
The InChIKey is YZZLBDWHIHUKLV-QDOCKXBDSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-17-14(16)10-5-3-2-4-7-12-8-6-9-13(12)11-15/h2,4,8,13H,3,5-7,9-11H2,1H3/b4-2-/t13-/m1/s1.
What are the key properties of methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate?
methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate has a molecular weight of 301.22 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate is sourced from PubChem (CID 67797243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).