CID 10508936

C33H47F9NOSi2 — CID 10508936

IUPAC—
SMILESC[Si](C[C@H]1/C(=C/C2CCCCC2)CN2CCCC[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C33H47F9NOSi2/c1-30(2,3)46(5,6)44-29-24(22(16-21-12-8-7-9-13-21)19-43-15-11-10-14-27(29)43)20-45(4)23-17-25(31(34,35)36)28(33(40,41)42)26(18-23)32(37,38)39/h16-18,21,24,27,29H,7-15,19-20H2,1-6H3/b22-16+/t24-,27+,29+/m0/s1
InChIKeyVPRNGHWBEBYXCF-CJUSLHJKSA-N
MW700.90 g/mol
LogP10.46
Rot. Bonds6

About CID 10508936

CID 10508936 (PubChem CID 10508936) has the molecular formula C33H47F9NOSi2 and a molecular weight of 700.90 g/mol.

Molecular Properties

Compound NameCID 10508936
PubChem CID10508936
Molecular FormulaC33H47F9NOSi2
Molecular Weight700.90 g/mol
Exact Mass700.31
IUPAC Name—
SMILESC[Si](C[C@H]1/C(=C/C2CCCCC2)CN2CCCC[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C33H47F9NOSi2/c1-30(2,3)46(5,6)44-29-24(22(16-21-12-8-7-9-13-21)19-43-15-11-10-14-27(29)43)20-45(4)23-17-25(31(34,35)36)28(33(40,41)42)26(18-23)32(37,38)39/h16-18,21,24,27,29H,7-15,19-20H2,1-6H3/b22-16+/t24-,27+,29+/m0/s1
InChIKeyVPRNGHWBEBYXCF-CJUSLHJKSA-N
XLogP10.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.90
LogP ≤ 510.46
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 10508936?
The IUPAC name of CID 10508936 (CID 10508936) is not available.
What is the SMILES notation for CID 10508936?
The canonical SMILES for CID 10508936 is C[Si](C[C@H]1/C(=C/C2CCCCC2)CN2CCCC[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of CID 10508936?
The InChIKey is VPRNGHWBEBYXCF-CJUSLHJKSA-N. The full InChI is InChI=1S/C33H47F9NOSi2/c1-30(2,3)46(5,6)44-29-24(22(16-21-12-8-7-9-13-21)19-43-15-11-10-14-27(29)43)20-45(4)23-17-25(31(34,35)36)28(33(40,41)42)26(18-23)32(37,38)39/h16-18,21,24,27,29H,7-15,19-20H2,1-6H3/b22-16+/t24-,27+,29+/m0/s1.
What are the key properties of CID 10508936?
CID 10508936 has a molecular weight of 700.90 g/mol, XLogP of 10.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10508936 is sourced from PubChem (CID 10508936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).