(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol

C21H37OSb — CID 18649662

IUPAC(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol
SMILESCC[Sb]1CC2CC[C@@H]3[C@H](CC[C@]4(C)CCC[C@@H]34)[C@H]2CC1(O)CC
InChIInChI=1S/C19H32O.C2H5.Sb/c1-4-14(20)12-17-13(2)7-8-16-15(17)9-11-19(3)10-5-6-18(16)19;1-2;/h13,15-18,20H,2,4-12H2,1,3H3;1H2,2H3;/t13?,15-,16+,17-,18-,19-;;/m0../s1
InChIKeyCHZPFRKZCOMLTE-MDSSLCRQSA-N
MW427.29 g/mol
LogP5.44
Rot. Bonds2

About (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol

(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol (PubChem CID 18649662) has the molecular formula C21H37OSb and a molecular weight of 427.29 g/mol. Its IUPAC name is (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol.

Molecular Properties

Compound Name(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol
PubChem CID18649662
Molecular FormulaC21H37OSb
Molecular Weight427.29 g/mol
Exact Mass426.19
IUPAC Name(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol
SMILESCC[Sb]1CC2CC[C@@H]3[C@H](CC[C@]4(C)CCC[C@@H]34)[C@H]2CC1(O)CC
InChIInChI=1S/C19H32O.C2H5.Sb/c1-4-14(20)12-17-13(2)7-8-16-15(17)9-11-19(3)10-5-6-18(16)19;1-2;/h13,15-18,20H,2,4-12H2,1,3H3;1H2,2H3;/t13?,15-,16+,17-,18-,19-;;/m0../s1
InChIKeyCHZPFRKZCOMLTE-MDSSLCRQSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol?
The IUPAC name of (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol (CID 18649662) is (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol.
What is the SMILES notation for (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol?
The canonical SMILES for (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol is CC[Sb]1CC2CC[C@@H]3[C@H](CC[C@]4(C)CCC[C@@H]34)[C@H]2CC1(O)CC.
What is the InChIKey of (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol?
The InChIKey is CHZPFRKZCOMLTE-MDSSLCRQSA-N. The full InChI is InChI=1S/C19H32O.C2H5.Sb/c1-4-14(20)12-17-13(2)7-8-16-15(17)9-11-19(3)10-5-6-18(16)19;1-2;/h13,15-18,20H,2,4-12H2,1,3H3;1H2,2H3;/t13?,15-,16+,17-,18-,19-;;/m0../s1.
What are the key properties of (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol?
(1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol has a molecular weight of 427.29 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,10R,11S,15S)-4,5-diethyl-15-methyl-5-stibatetracyclo[8.7.0.02,7.011,15]heptadecan-4-ol is sourced from PubChem (CID 18649662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).