CID 59963496

C17H31FO4PSi — CID 59963496

IUPAC—
SMILESCCCCC(F)C(CCC1C(OP)CC2OC(=O)CC21)O[Si](C)C
InChIInChI=1S/C17H31FO4PSi/c1-4-5-6-13(18)14(22-24(2)3)8-7-11-12-9-17(19)20-15(12)10-16(11)21-23/h11-16H,4-10,23H2,1-3H3
InChIKeyBDEGOTZOJGGEIL-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.06
Rot. Bonds10

About CID 59963496

CID 59963496 (PubChem CID 59963496) has the molecular formula C17H31FO4PSi and a molecular weight of 377.49 g/mol.

Molecular Properties

Compound NameCID 59963496
PubChem CID59963496
Molecular FormulaC17H31FO4PSi
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC Name—
SMILESCCCCC(F)C(CCC1C(OP)CC2OC(=O)CC21)O[Si](C)C
InChIInChI=1S/C17H31FO4PSi/c1-4-5-6-13(18)14(22-24(2)3)8-7-11-12-9-17(19)20-15(12)10-16(11)21-23/h11-16H,4-10,23H2,1-3H3
InChIKeyBDEGOTZOJGGEIL-UHFFFAOYSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59963400
CID 59963400
(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-phosphanyloxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;tritium monohydride
CID 90755799
(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3S)-3-phosphanyloxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(1R,3S,4R,5R)-4-(2-hydroxyethyl)-5-[(3S)-3-phosphanyloxyhexyl]cyclopentane-1,3-diol;bis(tritium monohydride)
CID 159710901
(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59958177
(3aR,4S,5R,6aS)-4-butyl-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59146605
4-(hydroxymethyl)-5-pentoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67854771
5-ethyl-4-(3-methoxy-5-phosphanylpentyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 90904458
[(4R)-4-(4-methyl-3-oxooctyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 59963427
(3aR,4R,5R,6aS)-4-[(E,3R,4R)-4-fluoro-3-hydroxyoct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70580665
(4R)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorodecyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59958164
CID 88960710
CID 88960710
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22884806

Frequently Asked Questions

What is the IUPAC name of CID 59963496?
The IUPAC name of CID 59963496 (CID 59963496) is not available.
What is the SMILES notation for CID 59963496?
The canonical SMILES for CID 59963496 is CCCCC(F)C(CCC1C(OP)CC2OC(=O)CC21)O[Si](C)C.
What is the InChIKey of CID 59963496?
The InChIKey is BDEGOTZOJGGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO4PSi/c1-4-5-6-13(18)14(22-24(2)3)8-7-11-12-9-17(19)20-15(12)10-16(11)21-23/h11-16H,4-10,23H2,1-3H3.
What are the key properties of CID 59963496?
CID 59963496 has a molecular weight of 377.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59963496 is sourced from PubChem (CID 59963496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).