[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium

C24H47O3Si+ — CID 91025948

IUPAC[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium
SMILESCCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[SiH2+](C)C)C[C@@H]1O
InChIInChI=1S/C24H47O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19,28H2,1-4H3/q+1/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1
InChIKeyZSOXKUQZSFJGON-HIIOMMESSA-N
MW411.72 g/mol
LogP5.50
Rot. Bonds15

About [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium

[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium (PubChem CID 91025948) has the molecular formula C24H47O3Si+ and a molecular weight of 411.72 g/mol. Its IUPAC name is [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium.

Molecular Properties

Compound Name[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium
PubChem CID91025948
Molecular FormulaC24H47O3Si+
Molecular Weight411.72 g/mol
Exact Mass411.33
IUPAC Name[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium
SMILESCCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[SiH2+](C)C)C[C@@H]1O
InChIInChI=1S/C24H47O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19,28H2,1-4H3/q+1/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1
InChIKeyZSOXKUQZSFJGON-HIIOMMESSA-N
XLogP5.50
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium?
The IUPAC name of [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium (CID 91025948) is [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium.
What is the SMILES notation for [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium?
The canonical SMILES for [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium is CCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[SiH2+](C)C)C[C@@H]1O.
What is the InChIKey of [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium?
The InChIKey is ZSOXKUQZSFJGON-HIIOMMESSA-N. The full InChI is InChI=1S/C24H47O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19,28H2,1-4H3/q+1/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1.
What are the key properties of [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium?
[(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium has a molecular weight of 411.72 g/mol, XLogP of 5.50, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4S)-3-[(Z)-hept-2-enyl]-4-hydroxy-2-[(E,3R)-3-hydroxydec-1-enyl]cyclopentyl]oxy-dimethylsilanylium is sourced from PubChem (CID 91025948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).