CID 136799204

C25H40O3Si2 — CID 136799204

IUPAC—
SMILESCCCCCc1cc(O[Si](C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(CO[Si](C)C)=C[C@@H]21
InChIInChI=1S/C25H40O3Si2/c1-8-9-10-11-18-15-22-24(23(16-18)28-30(6)7)20-14-19(17-26-29(4)5)12-13-21(20)25(2,3)27-22/h14-16,20-21H,8-13,17H2,1-7H3/t20-,21-/m1/s1
InChIKeyKFLFIKRBQTVDLE-NHCUHLMSSA-N
MW444.76 g/mol
LogP6.91
Rot. Bonds9

About CID 136799204

CID 136799204 (PubChem CID 136799204) has the molecular formula C25H40O3Si2 and a molecular weight of 444.76 g/mol.

Molecular Properties

Compound NameCID 136799204
PubChem CID136799204
Molecular FormulaC25H40O3Si2
Molecular Weight444.76 g/mol
Exact Mass444.25
IUPAC Name—
SMILESCCCCCc1cc(O[Si](C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(CO[Si](C)C)=C[C@@H]21
InChIInChI=1S/C25H40O3Si2/c1-8-9-10-11-18-15-22-24(23(16-18)28-30(6)7)20-14-19(17-26-29(4)5)12-13-21(20)25(2,3)27-22/h14-16,20-21H,8-13,17H2,1-7H3/t20-,21-/m1/s1
InChIKeyKFLFIKRBQTVDLE-NHCUHLMSSA-N
XLogP6.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.91
H-Bond Donors ≤ 50
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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Related Compounds

[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-trimethylsilane
CID 91746625
[(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]oxy-triethylsilane
CID 91745210
[(10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 2-(dimethylamino)acetate
CID 143815453
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] pentyl carbonate
CID 89177707
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] hydrogen phosphate
CID 171720295
3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 78411013
(6aS,10aS)-3-hexyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 155318981
(6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) (2S)-2,3-dihydroxypropanoate
CID 143815458
[(10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 146691855
(6aR,10aR)-1-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene
CID 172870152
(6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-amino-3-methylbutanoate
CID 46190762
[(6aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] piperazine-1-carboxylate
CID 165400449

Frequently Asked Questions

What is the IUPAC name of CID 136799204?
The IUPAC name of CID 136799204 (CID 136799204) is not available.
What is the SMILES notation for CID 136799204?
The canonical SMILES for CID 136799204 is CCCCCc1cc(O[Si](C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(CO[Si](C)C)=C[C@@H]21.
What is the InChIKey of CID 136799204?
The InChIKey is KFLFIKRBQTVDLE-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H40O3Si2/c1-8-9-10-11-18-15-22-24(23(16-18)28-30(6)7)20-14-19(17-26-29(4)5)12-13-21(20)25(2,3)27-22/h14-16,20-21H,8-13,17H2,1-7H3/t20-,21-/m1/s1.
What are the key properties of CID 136799204?
CID 136799204 has a molecular weight of 444.76 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136799204 is sourced from PubChem (CID 136799204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).