[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane

C25H50O3Si — CID 11597084

IUPAC[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CCCC(C)(C)C1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-24-22(16-14-18-25(24,7)8)15-12-11-13-17-23(26-9)27-10/h15,19-21,23-24H,11-14,16-18H2,1-10H3/b22-15-
InChIKeyRMVHYBFSELNVNW-JCMHNJIXSA-N
MW426.76 g/mol
LogP7.86
Rot. Bonds12

About [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane

[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11597084) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID11597084
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Name[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
SMILESCOC(CCCC/C=C1/CCCC(C)(C)C1O[Si](C(C)C)(C(C)C)C(C)C)OC
InChIInChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-24-22(16-14-18-25(24,7)8)15-12-11-13-17-23(26-9)27-10/h15,19-21,23-24H,11-14,16-18H2,1-10H3/b22-15-
InChIKeyRMVHYBFSELNVNW-JCMHNJIXSA-N
XLogP7.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R,3Z)-3-(2-bromoethylidene)-2-(1-ethoxyethoxy)-1-methylcyclohexyl]methoxy-tert-butyl-dimethylsilane
CID 9980417
tert-butyl-[[(1R,2R,3Z)-3-[(4Z)-4-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]butylidene]-2-(1-ethoxyethoxy)-1-methylcyclohexyl]methoxy]-dimethylsilane
CID 9987356
(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol
CID 10044824
[(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethyl] 2,2-dimethylpropanoate
CID 10389373
tert-butyl-[[(1S,2S,3Z)-3-[(4Z)-4-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]butylidene]-2-(1-ethoxyethoxy)-1-methylcyclohexyl]methoxy]-dimethylsilane
CID 10462516
[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane
CID 11034445
[(2E)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
CID 11153764
[(2Z)-2-(6,6-dimethoxyhexylidene)-5,5-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
CID 11502800
[(2Z)-2-(5,5-dimethoxypentylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
CID 11625173
[(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane
CID 11676258
Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2,4-bis(prop-2-enyl)cyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11810971
[(2Z)-2-(6,6-dimethoxyhexylidene)cyclohexyl]oxy-tri(propan-2-yl)silane
CID 15498824

Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane (CID 11597084) is [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane is COC(CCCC/C=C1/CCCC(C)(C)C1O[Si](C(C)C)(C(C)C)C(C)C)OC.
What is the InChIKey of [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is RMVHYBFSELNVNW-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H50O3Si/c1-19(2)29(20(3)4,21(5)6)28-24-22(16-14-18-25(24,7)8)15-12-11-13-17-23(26-9)27-10/h15,19-21,23-24H,11-14,16-18H2,1-10H3/b22-15-.
What are the key properties of [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane?
[(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 426.76 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-(6,6-dimethoxyhexylidene)-2,2-dimethylcyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11597084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).