[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane

C24H50O2Si — CID 174162362

IUPAC[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CC(C)CC(C)C1
InChIInChI=1S/C24H50O2Si/c1-18(2)27(19(3)4,20(5)6)12-11-24(16-25-9,17-26-10)23-14-21(7)13-22(8)15-23/h18-23H,11-17H2,1-10H3
InChIKeyICJHVWVXNPYCCH-UHFFFAOYSA-N
MW398.75 g/mol
LogP7.41
Rot. Bonds11

About [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane

[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane (PubChem CID 174162362) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
PubChem CID174162362
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Name[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CC(C)CC(C)C1
InChIInChI=1S/C24H50O2Si/c1-18(2)27(19(3)4,20(5)6)12-11-24(16-25-9,17-26-10)23-14-21(7)13-22(8)15-23/h18-23H,11-17H2,1-10H3
InChIKeyICJHVWVXNPYCCH-UHFFFAOYSA-N
XLogP7.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane (CID 174162362) is [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane is COCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CC(C)CC(C)C1.
What is the InChIKey of [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The InChIKey is ICJHVWVXNPYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-18(2)27(19(3)4,20(5)6)12-11-24(16-25-9,17-26-10)23-14-21(7)13-22(8)15-23/h18-23H,11-17H2,1-10H3.
What are the key properties of [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
[3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane has a molecular weight of 398.75 g/mol, XLogP of 7.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylcyclohexyl)-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 174162362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).