(6S)-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 10098924

About (6S)-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

(6S)-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 10098924) has the molecular formula C32H56O3Si2 and a molecular weight of 544.97 g/mol. Its IUPAC name is (6S)-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: (6S)-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: 10098924
• Molecular Formula: C32H56O3Si2
• Molecular Weight: 544.97 g/mol
• Exact Mass: 544.38
• IUPAC Name: (6S)-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
• SMILES: 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
• InChI: 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-/m1/s1
• InChIKey: VFAREAXGTNYFKE-FIPJJCHCSA-N
• XLogP: 10.08
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.97
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-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 (6S)-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 10098924) is (6S)-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 (6S)-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 (6S)-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 (6S)-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-FIPJJCHCSA-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-/m1/s1.

What are the key properties of (6S)-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?

(6S)-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 (6S)-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 10098924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).