[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate

C18H30O2 — CID 10978795

IUPAC[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate
SMILESCCCC/C=C\C[C@H](C)CCC(=O)O[C@H]1C=C(C)CC1
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-15(2)11-13-18(19)20-17-12-10-16(3)14-17/h7-8,14-15,17H,4-6,9-13H2,1-3H3/b8-7-/t15-,17+/m0/s1
InChIKeyACUNVVIJLOCEGX-GGVYXGFKSA-N
MW278.44 g/mol
LogP5.19
Rot. Bonds9

About [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate

[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate (PubChem CID 10978795) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate.

Molecular Properties

Compound Name[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate
PubChem CID10978795
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate
SMILESCCCC/C=C\C[C@H](C)CCC(=O)O[C@H]1C=C(C)CC1
InChIInChI=1S/C18H30O2/c1-4-5-6-7-8-9-15(2)11-13-18(19)20-17-12-10-16(3)14-17/h7-8,14-15,17H,4-6,9-13H2,1-3H3/b8-7-/t15-,17+/m0/s1
InChIKeyACUNVVIJLOCEGX-GGVYXGFKSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.19
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 [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate?
The IUPAC name of [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate (CID 10978795) is [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate.
What is the SMILES notation for [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate?
The canonical SMILES for [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate is CCCC/C=C\C[C@H](C)CCC(=O)O[C@H]1C=C(C)CC1.
What is the InChIKey of [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate?
The InChIKey is ACUNVVIJLOCEGX-GGVYXGFKSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-5-6-7-8-9-15(2)11-13-18(19)20-17-12-10-16(3)14-17/h7-8,14-15,17H,4-6,9-13H2,1-3H3/b8-7-/t15-,17+/m0/s1.
What are the key properties of [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate?
[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate has a molecular weight of 278.44 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate is sourced from PubChem (CID 10978795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).