(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane

C32H56O3Si2 — CID 10460060

IUPAC(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane
SMILESCC1=CCCC(C)(C)/C1=C\C=C(C)\C=C\C=C(/C)[C@@H]1CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C32H56O3Si2/c1-23(2)36(24(3)4)33-22-31(34-37(35-36,25(5)6)26(7)8)29(11)17-14-16-27(9)19-20-30-28(10)18-15-21-32(30,12)13/h14,16-20,23-26,31H,15,21-22H2,1-13H3/b16-14+,27-19+,29-17+,30-20-/t31-/m0/s1
InChIKeyVFAREAXGTNYFKE-HVZKMHEYSA-N
MW544.97 g/mol
LogP10.08
Rot. Bonds8

About (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane

(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane (PubChem CID 10460060) has the molecular formula C32H56O3Si2 and a molecular weight of 544.97 g/mol. Its IUPAC name is (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane.

Molecular Properties

Compound Name(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane
PubChem CID10460060
Molecular FormulaC32H56O3Si2
Molecular Weight544.97 g/mol
Exact Mass544.38
IUPAC Name(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane
SMILESCC1=CCCC(C)(C)/C1=C\C=C(C)\C=C\C=C(/C)[C@@H]1CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C32H56O3Si2/c1-23(2)36(24(3)4)33-22-31(34-37(35-36,25(5)6)26(7)8)29(11)17-14-16-27(9)19-20-30-28(10)18-15-21-32(30,12)13/h14,16-20,23-26,31H,15,21-22H2,1-13H3/b16-14+,27-19+,29-17+,30-20-/t31-/m0/s1
InChIKeyVFAREAXGTNYFKE-HVZKMHEYSA-N
XLogP10.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.97
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane?
The IUPAC name of (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane (CID 10460060) is (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane.
What is the SMILES notation for (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane?
The canonical SMILES for (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane is CC1=CCCC(C)(C)/C1=C\C=C(C)\C=C\C=C(/C)[C@@H]1CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane?
The InChIKey is VFAREAXGTNYFKE-HVZKMHEYSA-N. The full InChI is InChI=1S/C32H56O3Si2/c1-23(2)36(24(3)4)33-22-31(34-37(35-36,25(5)6)26(7)8)29(11)17-14-16-27(9)19-20-30-28(10)18-15-21-32(30,12)13/h14,16-20,23-26,31H,15,21-22H2,1-13H3/b16-14+,27-19+,29-17+,30-20-/t31-/m0/s1.
What are the key properties of (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane?
(6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane has a molecular weight of 544.97 g/mol, XLogP of 10.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2E,4E,6E,8E)-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octa-2,4,6-trien-2-yl]-2,2,4,4-tetra(propan-2-yl)-1,3,5,2,4-trioxadisilepane is sourced from PubChem (CID 10460060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).