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

C22H46O2Si — CID 173310163

IUPAC[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
SMILESCCOC1(OCC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C22H46O2Si/c1-9-23-22(24-10-2)14-12-11-13-21(22,25)16-18(3)15-20(7,8)17-19(4,5)6/h18H,9-17H2,1-8,25H3
InChIKeyNCUDSCRTJRCRSG-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.73
Rot. Bonds9

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

[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane (PubChem CID 173310163) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane.

Molecular Properties

Compound Name[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
PubChem CID173310163
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
SMILESCCOC1(OCC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C22H46O2Si/c1-9-23-22(24-10-2)14-12-11-13-21(22,25)16-18(3)15-20(7,8)17-19(4,5)6/h18H,9-17H2,1-8,25H3
InChIKeyNCUDSCRTJRCRSG-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.73
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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Related Compounds

3,3-Diethoxydodecylcyclohexane
CID 151185509
(1,1-Diethoxy-2-methyldecyl)cyclohexane
CID 151955749
2,2-Diethoxyundecylcyclohexane
CID 152165490
1,1-Diethoxydecylcyclohexane
CID 152286510
3,3-Diethoxy-2,2,4-trimethyldodecane
CID 152690060
(3-Cyclohexyl-1,1-dimethoxy-2,2-dimethylpropyl)silane
CID 173188861
(1,1-Diethoxy-2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
CID 173293514
[2,2-Diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclopentyl]silane
CID 173310147
[2,2-Dimethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane
CID 173310332
(2,2-Diethoxy-3-ethylcyclohexyl)-methylsilane
CID 174401826

Frequently Asked Questions

What is the IUPAC name of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The IUPAC name of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane (CID 173310163) is [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane.
What is the SMILES notation for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The canonical SMILES for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane is CCOC1(OCC)CCCCC1([SiH3])CC(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
The InChIKey is NCUDSCRTJRCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-9-23-22(24-10-2)14-12-11-13-21(22,25)16-18(3)15-20(7,8)17-19(4,5)6/h18H,9-17H2,1-8,25H3.
What are the key properties of [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane?
[2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane has a molecular weight of 370.69 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-diethoxy-1-(2,4,4,6,6-pentamethylheptyl)cyclohexyl]silane is sourced from PubChem (CID 173310163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).