(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane

C18H38OSi — CID 141217403

IUPAC(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane
SMILESCO[Si](C)(C)C1(C)CCCCCC(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H38OSi/c1-15-13-11-10-12-14-18(6,20(8,9)19-7)17(4,5)16(15,2)3/h15H,10-14H2,1-9H3
InChIKeyAEOCWKGOHGZRHV-UHFFFAOYSA-N
MW298.59 g/mol
LogP6.25
Rot. Bonds2

About (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane

(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane (PubChem CID 141217403) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane.

Molecular Properties

Compound Name(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane
PubChem CID141217403
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Name(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane
SMILESCO[Si](C)(C)C1(C)CCCCCC(C)C(C)(C)C1(C)C
InChIInChI=1S/C18H38OSi/c1-15-13-11-10-12-14-18(6,20(8,9)19-7)17(4,5)16(15,2)3/h15H,10-14H2,1-9H3
InChIKeyAEOCWKGOHGZRHV-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.25
H-Bond Donors ≤ 50
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 (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane?
The IUPAC name of (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane (CID 141217403) is (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane.
What is the SMILES notation for (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane?
The canonical SMILES for (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane is CO[Si](C)(C)C1(C)CCCCCC(C)C(C)(C)C1(C)C.
What is the InChIKey of (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane?
The InChIKey is AEOCWKGOHGZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38OSi/c1-15-13-11-10-12-14-18(6,20(8,9)19-7)17(4,5)16(15,2)3/h15H,10-14H2,1-9H3.
What are the key properties of (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane?
(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane has a molecular weight of 298.59 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane is sourced from PubChem (CID 141217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).