[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate

C17H30O4 — CID 163015407

IUPAC[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate
SMILESO=C(CCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO
InChIInChI=1S/C17H30O4/c18-13-16(19)14-21-17(20)12-6-4-2-1-3-5-9-15-10-7-8-11-15/h7,10,15-16,18-19H,1-6,8-9,11-14H2/t15-,16-/m0/s1
InChIKeyUZRAFOVPRMUAFS-HOTGVXAUSA-N
MW298.42 g/mol
LogP2.97
Rot. Bonds12

About [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate

[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate (PubChem CID 163015407) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate
PubChem CID163015407
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate
SMILESO=C(CCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO
InChIInChI=1S/C17H30O4/c18-13-16(19)14-21-17(20)12-6-4-2-1-3-5-9-15-10-7-8-11-15/h7,10,15-16,18-19H,1-6,8-9,11-14H2/t15-,16-/m0/s1
InChIKeyUZRAFOVPRMUAFS-HOTGVXAUSA-N
XLogP2.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate (CID 163015407) is [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate is O=C(CCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate?
The InChIKey is UZRAFOVPRMUAFS-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H30O4/c18-13-16(19)14-21-17(20)12-6-4-2-1-3-5-9-15-10-7-8-11-15/h7,10,15-16,18-19H,1-6,8-9,11-14H2/t15-,16-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate?
[(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate has a molecular weight of 298.42 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] 9-[(1R)-cyclopent-2-en-1-yl]nonanoate is sourced from PubChem (CID 163015407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).