methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate

C19H32O2 — CID 6271720

IUPACmethyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate
SMILESCOC(=O)CCCC/C=C\CCCCCCC1C=CCC1
InChIInChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3-
InChIKeyFWVHFWVSFHFRBX-HYXAFXHYSA-N
MW292.46 g/mol
LogP5.58
Rot. Bonds12

About methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate

methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate (PubChem CID 6271720) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate
PubChem CID6271720
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Namemethyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate
SMILESCOC(=O)CCCC/C=C\CCCCCCC1C=CCC1
InChIInChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3-
InChIKeyFWVHFWVSFHFRBX-HYXAFXHYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate?
The IUPAC name of methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate (CID 6271720) is methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate.
What is the SMILES notation for methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate?
The canonical SMILES for methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate is COC(=O)CCCC/C=C\CCCCCCC1C=CCC1.
What is the InChIKey of methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate?
The InChIKey is FWVHFWVSFHFRBX-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3-.
What are the key properties of methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate?
methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate has a molecular weight of 292.46 g/mol, XLogP of 5.58, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-13-cyclopent-2-en-1-yltridec-6-enoate is sourced from PubChem (CID 6271720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).