1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane

C22H44O3Si — CID 173404047

IUPAC1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane
SMILESCC1CCC(C(C)C)C(OC(C)(O[SiH3])OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C22H44O3Si/c1-14(2)18-10-8-16(5)12-20(18)23-22(7,25-26)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7,26H3
InChIKeyDWXOSZIPTIDHPZ-UHFFFAOYSA-N
MW384.68 g/mol
LogP4.91
Rot. Bonds7

About 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane

1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane (PubChem CID 173404047) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane.

Molecular Properties

Compound Name1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane
PubChem CID173404047
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane
SMILESCC1CCC(C(C)C)C(OC(C)(O[SiH3])OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C22H44O3Si/c1-14(2)18-10-8-16(5)12-20(18)23-22(7,25-26)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7,26H3
InChIKeyDWXOSZIPTIDHPZ-UHFFFAOYSA-N
XLogP4.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
methyl 2-cyclohexyl-2,2-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]acetate
CID 141416838
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
[bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphinothioyldisulfanyl]-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanylidene-λ5-phosphane
CID 11457094
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane?
The IUPAC name of 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane (CID 173404047) is 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane.
What is the SMILES notation for 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane?
The canonical SMILES for 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane is CC1CCC(C(C)C)C(OC(C)(O[SiH3])OC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane?
The InChIKey is DWXOSZIPTIDHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-14(2)18-10-8-16(5)12-20(18)23-22(7,25-26)24-21-13-17(6)9-11-19(21)15(3)4/h14-21H,8-13H2,1-7,26H3.
What are the key properties of 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane?
1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane has a molecular weight of 384.68 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane is sourced from PubChem (CID 173404047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).