bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate

C38H60O6Si — CID 53327852

IUPACbis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
SMILESCC(C)C1CCC(C(C)O[Si](OCCOc2ccccc2)(OCCOc2ccccc2)OC(C)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C38H60O6Si/c1-29(2)33-17-21-35(22-18-33)31(5)43-45(41-27-25-39-37-13-9-7-10-14-37,42-28-26-40-38-15-11-8-12-16-38)44-32(6)36-23-19-34(20-24-36)30(3)4/h7-16,29-36H,17-28H2,1-6H3
InChIKeyNZUISNIUGDPJMZ-UHFFFAOYSA-N
MW640.98 g/mol
LogP9.35
Rot. Bonds18

About bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate

bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate (PubChem CID 53327852) has the molecular formula C38H60O6Si and a molecular weight of 640.98 g/mol. Its IUPAC name is bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate.

Molecular Properties

Compound Namebis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
PubChem CID53327852
Molecular FormulaC38H60O6Si
Molecular Weight640.98 g/mol
Exact Mass640.42
IUPAC Namebis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
SMILESCC(C)C1CCC(C(C)O[Si](OCCOc2ccccc2)(OCCOc2ccccc2)OC(C)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C38H60O6Si/c1-29(2)33-17-21-35(22-18-33)31(5)43-45(41-27-25-39-37-13-9-7-10-14-37,42-28-26-40-38-15-11-8-12-16-38)44-32(6)36-23-19-34(20-24-36)30(3)4/h7-16,29-36H,17-28H2,1-6H3
InChIKeyNZUISNIUGDPJMZ-UHFFFAOYSA-N
XLogP9.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.98
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
2-(2-phenoxyethoxy)ethoxy-tri(propan-2-yl)silane
CID 142630702
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
(5-bromo-5-cyclopropylpentoxy)benzene
CID 63470935
2-phenoxyethylmercury
CID 163598363
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
methoxy-methyl-(2-phenoxyethoxy)-phenylsilane
CID 151350623
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871727
propan-2-yl 4-phenoxybutanoate
CID 71627864

Frequently Asked Questions

What is the IUPAC name of bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate?
The IUPAC name of bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate (CID 53327852) is bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate.
What is the SMILES notation for bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate?
The canonical SMILES for bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate is CC(C)C1CCC(C(C)O[Si](OCCOc2ccccc2)(OCCOc2ccccc2)OC(C)C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate?
The InChIKey is NZUISNIUGDPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H60O6Si/c1-29(2)33-17-21-35(22-18-33)31(5)43-45(41-27-25-39-37-13-9-7-10-14-37,42-28-26-40-38-15-11-8-12-16-38)44-32(6)36-23-19-34(20-24-36)30(3)4/h7-16,29-36H,17-28H2,1-6H3.
What are the key properties of bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate?
bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate has a molecular weight of 640.98 g/mol, XLogP of 9.35, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate is sourced from PubChem (CID 53327852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).