[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane

C33H60O3Si3 — CID 172708378

IUPAC[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane
SMILESC=C[SiH](CC1CCCCC1)OC1CCC(O[SiH](C=C)CC2CCCCC2)C(O[SiH](C=C)CC2CCCCC2)C1
InChIInChI=1S/C33H60O3Si3/c1-4-37(25-28-16-10-7-11-17-28)34-31-22-23-32(35-38(5-2)26-29-18-12-8-13-19-29)33(24-31)36-39(6-3)27-30-20-14-9-15-21-30/h4-6,28-33,37-39H,1-3,7-27H2
InChIKeyDXFFDWSSXVADGQ-UHFFFAOYSA-N
MW589.10 g/mol
LogP8.41
Rot. Bonds15

About [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane

[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane (PubChem CID 172708378) has the molecular formula C33H60O3Si3 and a molecular weight of 589.10 g/mol. Its IUPAC name is [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane.

Molecular Properties

Compound Name[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane
PubChem CID172708378
Molecular FormulaC33H60O3Si3
Molecular Weight589.10 g/mol
Exact Mass588.39
IUPAC Name[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane
SMILESC=C[SiH](CC1CCCCC1)OC1CCC(O[SiH](C=C)CC2CCCCC2)C(O[SiH](C=C)CC2CCCCC2)C1
InChIInChI=1S/C33H60O3Si3/c1-4-37(25-28-16-10-7-11-17-28)34-31-22-23-32(35-38(5-2)26-29-18-12-8-13-19-29)33(24-31)36-39(6-3)27-30-20-14-9-15-21-30/h4-6,28-33,37-39H,1-3,7-27H2
InChIKeyDXFFDWSSXVADGQ-UHFFFAOYSA-N
XLogP8.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.10
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane?
The IUPAC name of [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane (CID 172708378) is [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane.
What is the SMILES notation for [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane?
The canonical SMILES for [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane is C=C[SiH](CC1CCCCC1)OC1CCC(O[SiH](C=C)CC2CCCCC2)C(O[SiH](C=C)CC2CCCCC2)C1.
What is the InChIKey of [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane?
The InChIKey is DXFFDWSSXVADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O3Si3/c1-4-37(25-28-16-10-7-11-17-28)34-31-22-23-32(35-38(5-2)26-29-18-12-8-13-19-29)33(24-31)36-39(6-3)27-30-20-14-9-15-21-30/h4-6,28-33,37-39H,1-3,7-27H2.
What are the key properties of [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane?
[2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane has a molecular weight of 589.10 g/mol, XLogP of 8.41, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[[cyclohexylmethyl(ethenyl)silyl]oxy]cyclohexyl]oxy-(cyclohexylmethyl)-ethenylsilane is sourced from PubChem (CID 172708378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).