2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C31H52O6Si5 — CID 123863177

IUPAC2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC(C[Si]1(C)O[SiH](C)O[Si](C)(CCC2CCC3OC3C2)O[SiH](C)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C31H52O6Si5/c1-25(28-14-10-8-11-15-28)23-41(6)35-38(3)33-40(5,21-20-27-18-19-30-31(22-27)32-30)34-39(4)36-42(7,37-41)24-26(2)29-16-12-9-13-17-29/h8-17,25-27,30-31,38-39H,18-24H2,1-7H3
InChIKeyUCWOWGXWDUVEFP-UHFFFAOYSA-N
MW661.18 g/mol
LogP7.56
Rot. Bonds9

About 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 123863177) has the molecular formula C31H52O6Si5 and a molecular weight of 661.18 g/mol. Its IUPAC name is 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID123863177
Molecular FormulaC31H52O6Si5
Molecular Weight661.18 g/mol
Exact Mass660.26
IUPAC Name2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC(C[Si]1(C)O[SiH](C)O[Si](C)(CCC2CCC3OC3C2)O[SiH](C)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C31H52O6Si5/c1-25(28-14-10-8-11-15-28)23-41(6)35-38(3)33-40(5,21-20-27-18-19-30-31(22-27)32-30)34-39(4)36-42(7,37-41)24-26(2)29-16-12-9-13-17-29/h8-17,25-27,30-31,38-39H,18-24H2,1-7H3
InChIKeyUCWOWGXWDUVEFP-UHFFFAOYSA-N
XLogP7.56
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.18
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 123863177) is 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CC(C[Si]1(C)O[SiH](C)O[Si](C)(CCC2CCC3OC3C2)O[SiH](C)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is UCWOWGXWDUVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52O6Si5/c1-25(28-14-10-8-11-15-28)23-41(6)35-38(3)33-40(5,21-20-27-18-19-30-31(22-27)32-30)34-39(4)36-42(7,37-41)24-26(2)29-16-12-9-13-17-29/h8-17,25-27,30-31,38-39H,18-24H2,1-7H3.
What are the key properties of 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 661.18 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10-pentamethyl-8-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-2,4-bis(2-phenylpropyl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 123863177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).