CID 59963400

C22H41FO5PSi — CID 59963400

IUPAC—
SMILESCCCCC(F)C(CCC1C(OP)CC(O)C1C/C=C\CCCC(=O)O)O[Si](C)C
InChIInChI=1S/C22H41FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29H2,1-3H3,(H,25,26)/b8-6-
InChIKeyXOCDEMHPKHOLGC-VURMDHGXSA-N
MW463.62 g/mol
LogP5.30
Rot. Bonds16

About CID 59963400

CID 59963400 (PubChem CID 59963400) has the molecular formula C22H41FO5PSi and a molecular weight of 463.62 g/mol.

Molecular Properties

Compound NameCID 59963400
PubChem CID59963400
Molecular FormulaC22H41FO5PSi
Molecular Weight463.62 g/mol
Exact Mass463.24
IUPAC Name—
SMILESCCCCC(F)C(CCC1C(OP)CC(O)C1C/C=C\CCCC(=O)O)O[Si](C)C
InChIInChI=1S/C22H41FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29H2,1-3H3,(H,25,26)/b8-6-
InChIKeyXOCDEMHPKHOLGC-VURMDHGXSA-N
XLogP5.30
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.30
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-[(2R)-2-[2-(2-hexan-2-yl-1,3-dioxolan-2-yl)ethyl]-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 90862591
(Z)-7-[(2R)-5-hydroxy-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 59963403
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-phosphanyloxyhexyl]cyclopentyl]hept-5-enoic acid
CID 90717045
(Z)-7-[(1R,2R)-5-hydroxy-3-phosphanyloxy-2-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid;trans-(2R,3R)-2-[(Z)-hept-2-enyl]-4-phosphanyloxy-3-[3-phosphanyloxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentan-1-ol
CID 91463705
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
(Z)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 15222228
7-[(1R,2R)-2-[4-(3-chlorophenoxy)-3-phosphanyloxybutyl]-5-hydroxy-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 91238946
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
(Z)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
CID 166451449
(3S)-3-(4-fluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-methylcyclopentan-1-ol
CID 59963488
(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 70636407
(Z)-9-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoic acid
CID 70148677

Frequently Asked Questions

What is the IUPAC name of CID 59963400?
The IUPAC name of CID 59963400 (CID 59963400) is not available.
What is the SMILES notation for CID 59963400?
The canonical SMILES for CID 59963400 is CCCCC(F)C(CCC1C(OP)CC(O)C1C/C=C\CCCC(=O)O)O[Si](C)C.
What is the InChIKey of CID 59963400?
The InChIKey is XOCDEMHPKHOLGC-VURMDHGXSA-N. The full InChI is InChI=1S/C22H41FO5PSi/c1-4-5-11-18(23)20(28-30(2)3)14-13-17-16(19(24)15-21(17)27-29)10-8-6-7-9-12-22(25)26/h6,8,16-21,24H,4-5,7,9-15,29H2,1-3H3,(H,25,26)/b8-6-.
What are the key properties of CID 59963400?
CID 59963400 has a molecular weight of 463.62 g/mol, XLogP of 5.30, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59963400 is sourced from PubChem (CID 59963400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).