methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate

C17H28O2 — CID 100948749

IUPACmethyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate
SMILESCCCCCCC/C(=C\C(=O)OC)CC1=CCCC1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-12-16(14-17(18)19-2)13-15-10-8-9-11-15/h10,14H,3-9,11-13H2,1-2H3/b16-14+
InChIKeyQRKNPGNUAZDKML-JQIJEIRASA-N
MW264.41 g/mol
LogP4.95
Rot. Bonds9

About methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate

methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate (PubChem CID 100948749) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate
PubChem CID100948749
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namemethyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate
SMILESCCCCCCC/C(=C\C(=O)OC)CC1=CCCC1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-12-16(14-17(18)19-2)13-15-10-8-9-11-15/h10,14H,3-9,11-13H2,1-2H3/b16-14+
InChIKeyQRKNPGNUAZDKML-JQIJEIRASA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.95
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl (Z)-3-methoxyoct-2-enoate
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ethyl 3-decyltridec-2-enoate
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CID 23035884

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate?
The IUPAC name of methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate (CID 100948749) is methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate.
What is the SMILES notation for methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate?
The canonical SMILES for methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate is CCCCCCC/C(=C\C(=O)OC)CC1=CCCC1.
What is the InChIKey of methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate?
The InChIKey is QRKNPGNUAZDKML-JQIJEIRASA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-12-16(14-17(18)19-2)13-15-10-8-9-11-15/h10,14H,3-9,11-13H2,1-2H3/b16-14+.
What are the key properties of methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate?
methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate has a molecular weight of 264.41 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(cyclopenten-1-ylmethyl)dec-2-enoate is sourced from PubChem (CID 100948749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).