CID 6329892

C23H37O4Si — CID 6329892

IUPAC—
SMILESCCCCCC(/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C
InChIInChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+
InChIKeyNNXNEJZOZAMMDH-GUNRCEPCSA-N
MW405.63 g/mol
LogP5.71
Rot. Bonds14

About CID 6329892

CID 6329892 (PubChem CID 6329892) has the molecular formula C23H37O4Si and a molecular weight of 405.63 g/mol.

Molecular Properties

Compound NameCID 6329892
PubChem CID6329892
Molecular FormulaC23H37O4Si
Molecular Weight405.63 g/mol
Exact Mass405.25
IUPAC Name—
SMILESCCCCCC(/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C
InChIInChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+
InChIKeyNNXNEJZOZAMMDH-GUNRCEPCSA-N
XLogP5.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl 7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopenten-1-yl]hept-5-enoate
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trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
CID 21160102
ethyl 7-[2-[(3R)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoate
CID 162991023
methyl 7-[2-[(E,3S)-3-acetyloxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate
CID 90470265
methyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-ethyl-3-oxocyclopenten-1-yl)undec-10-enoate
CID 56958097
methyl 3-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]propanoate
CID 90475554
methyl (Z)-undec-5-enoate
CID 11469683
(E)-7-[2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
CID 124933446
methyl (Z)-7-[(1S,2S)-2-(3-acetyloxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoate
CID 70603769
methyl dodec-5-enoate
CID 86010951
methyl dec-5-enoate
CID 54534253
methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 149434324

Frequently Asked Questions

What is the IUPAC name of CID 6329892?
The IUPAC name of CID 6329892 (CID 6329892) is not available.
What is the SMILES notation for CID 6329892?
The canonical SMILES for CID 6329892 is CCCCCC(/C=C/C1=C(C/C=C/CCCC(=O)OC)C(=O)CC1)O[Si](C)C.
What is the InChIKey of CID 6329892?
The InChIKey is NNXNEJZOZAMMDH-GUNRCEPCSA-N. The full InChI is InChI=1S/C23H37O4Si/c1-5-6-9-12-20(27-28(3)4)17-15-19-16-18-22(24)21(19)13-10-7-8-11-14-23(25)26-2/h7,10,15,17,20H,5-6,8-9,11-14,16,18H2,1-4H3/b10-7+,17-15+.
What are the key properties of CID 6329892?
CID 6329892 has a molecular weight of 405.63 g/mol, XLogP of 5.71, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6329892 is sourced from PubChem (CID 6329892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).