CID 136765122

C30H49O2Si — CID 136765122

IUPAC—
SMILESC[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si])C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H49O2Si/c1-19(9-12-25-27(4,5)31-25)20-13-17-30(8)22-10-11-23-26(2,3)24(32-33)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25H,9-18H2,1-8H3/t19-,20-,23+,24+,25?,28-,29-,30+/m1/s1
InChIKeySJYILAFXIQLFLE-HICKBLNCSA-N
MW469.81 g/mol
LogP7.80
Rot. Bonds5

About CID 136765122

CID 136765122 (PubChem CID 136765122) has the molecular formula C30H49O2Si and a molecular weight of 469.81 g/mol.

Molecular Properties

Compound NameCID 136765122
PubChem CID136765122
Molecular FormulaC30H49O2Si
Molecular Weight469.81 g/mol
Exact Mass469.35
IUPAC Name—
SMILESC[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si])C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H49O2Si/c1-19(9-12-25-27(4,5)31-25)20-13-17-30(8)22-10-11-23-26(2,3)24(32-33)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25H,9-18H2,1-8H3/t19-,20-,23+,24+,25?,28-,29-,30+/m1/s1
InChIKeySJYILAFXIQLFLE-HICKBLNCSA-N
XLogP7.80
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.81
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 136765122?
The IUPAC name of CID 136765122 (CID 136765122) is not available.
What is the SMILES notation for CID 136765122?
The canonical SMILES for CID 136765122 is C[C@H](CCC1OC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[Si])C(C)(C)[C@@H]1CC3.
What is the InChIKey of CID 136765122?
The InChIKey is SJYILAFXIQLFLE-HICKBLNCSA-N. The full InChI is InChI=1S/C30H49O2Si/c1-19(9-12-25-27(4,5)31-25)20-13-17-30(8)22-10-11-23-26(2,3)24(32-33)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25H,9-18H2,1-8H3/t19-,20-,23+,24+,25?,28-,29-,30+/m1/s1.
What are the key properties of CID 136765122?
CID 136765122 has a molecular weight of 469.81 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136765122 is sourced from PubChem (CID 136765122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).