2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane

C40H84O5Si2 — CID 58810821

IUPAC2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane
SMILESCCCCCCCCCC[Si]1(OC)OC(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)(C(C)C)O[Si](CCCCCCCCCC)(OC)O1
InChIInChI=1S/C40H84O5Si2/c1-15-17-19-21-23-25-27-29-31-46(41-13)43-39(10,11)37(8)35(6)34(5)36(7)38(9)40(12,33(3)4)44-47(42-14,45-46)32-30-28-26-24-22-20-18-16-2/h33-38H,15-32H2,1-14H3
InChIKeyJVEWELVNHFVRQY-UHFFFAOYSA-N
MW701.28 g/mol
LogP12.88
Rot. Bonds21

About 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane

2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane (PubChem CID 58810821) has the molecular formula C40H84O5Si2 and a molecular weight of 701.28 g/mol. Its IUPAC name is 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane.

Molecular Properties

Compound Name2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane
PubChem CID58810821
Molecular FormulaC40H84O5Si2
Molecular Weight701.28 g/mol
Exact Mass700.59
IUPAC Name2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane
SMILESCCCCCCCCCC[Si]1(OC)OC(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)(C(C)C)O[Si](CCCCCCCCCC)(OC)O1
InChIInChI=1S/C40H84O5Si2/c1-15-17-19-21-23-25-27-29-31-46(41-13)43-39(10,11)37(8)35(6)34(5)36(7)38(9)40(12,33(3)4)44-47(42-14,45-46)32-30-28-26-24-22-20-18-16-2/h33-38H,15-32H2,1-14H3
InChIKeyJVEWELVNHFVRQY-UHFFFAOYSA-N
XLogP12.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.28
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane?
The IUPAC name of 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane (CID 58810821) is 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane.
What is the SMILES notation for 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane?
The canonical SMILES for 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane is CCCCCCCCCC[Si]1(OC)OC(C)(C)C(C)C(C)C(C)C(C)C(C)C(C)(C(C)C)O[Si](CCCCCCCCCC)(OC)O1.
What is the InChIKey of 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane?
The InChIKey is JVEWELVNHFVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H84O5Si2/c1-15-17-19-21-23-25-27-29-31-46(41-13)43-39(10,11)37(8)35(6)34(5)36(7)38(9)40(12,33(3)4)44-47(42-14,45-46)32-30-28-26-24-22-20-18-16-2/h33-38H,15-32H2,1-14H3.
What are the key properties of 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane?
2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane has a molecular weight of 701.28 g/mol, XLogP of 12.88, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-didecyl-2,4-dimethoxy-6,6,7,8,9,10,11,12-octamethyl-12-propan-2-yl-1,3,5-trioxa-2,4-disilacyclododecane is sourced from PubChem (CID 58810821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).