dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate

C25H40F6O4Si — CID 91548424

IUPACdimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC
InChIInChI=1S/C21H28F6O2.C4H12O2Si/c1-18(2,3)17(28)29-19(20(22,23)24,21(25,26)27)9-13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16;1-5-7(3,4)6-2/h10-16H,4-9H2,1-3H3;1-4H3
InChIKeyLHZXOBBKMOSFED-UHFFFAOYSA-N
MW546.67 g/mol
LogP7.13
Rot. Bonds5

About dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate

dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate (PubChem CID 91548424) has the molecular formula C25H40F6O4Si and a molecular weight of 546.67 g/mol. Its IUPAC name is dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Namedimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate
PubChem CID91548424
Molecular FormulaC25H40F6O4Si
Molecular Weight546.67 g/mol
Exact Mass546.26
IUPAC Namedimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC
InChIInChI=1S/C21H28F6O2.C4H12O2Si/c1-18(2,3)17(28)29-19(20(22,23)24,21(25,26)27)9-13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16;1-5-7(3,4)6-2/h10-16H,4-9H2,1-3H3;1-4H3
InChIKeyLHZXOBBKMOSFED-UHFFFAOYSA-N
XLogP7.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate (CID 91548424) is dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC.
What is the InChIKey of dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is LHZXOBBKMOSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F6O2.C4H12O2Si/c1-18(2,3)17(28)29-19(20(22,23)24,21(25,26)27)9-13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16;1-5-7(3,4)6-2/h10-16H,4-9H2,1-3H3;1-4H3.
What are the key properties of dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate?
dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 546.67 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(dimethyl)silane;[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 91548424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).