[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane

C20H42O2Si — CID 173310332

IUPAC[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
SMILESCOC1(OC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-16(13-18(5,6)15-17(2,3)4)14-19(23)11-9-10-12-20(19,21-7)22-8/h16H,9-15H2,1-8,23H3
InChIKeyKNSHJXZGJOCCKM-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.95
Rot. Bonds7

About [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane

[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane (PubChem CID 173310332) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane.

Molecular Properties

Compound Name[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
PubChem CID173310332
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Name[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
SMILESCOC1(OC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H42O2Si/c1-16(13-18(5,6)15-17(2,3)4)14-19(23)11-9-10-12-20(19,21-7)22-8/h16H,9-15H2,1-8,23H3
InChIKeyKNSHJXZGJOCCKM-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The IUPAC name of [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane (CID 173310332) is [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane.
What is the SMILES notation for [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The canonical SMILES for [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane is COC1(OC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The InChIKey is KNSHJXZGJOCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-16(13-18(5,6)15-17(2,3)4)14-19(23)11-9-10-12-20(19,21-7)22-8/h16H,9-15H2,1-8,23H3.
What are the key properties of [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
[2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane has a molecular weight of 342.64 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane is sourced from PubChem (CID 173310332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).