[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate

C24H40O4Si — CID 101390397

IUPAC[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate
SMILESC/C=C(\C)[C@@H]1O[Si](C(C)C)(C(C)C)/C(=C/C=C/C/C(C)=C/COC(=O)OC)[C@H]1C
InChIInChI=1S/C24H40O4Si/c1-10-20(7)23-21(8)22(29(28-23,17(2)3)18(4)5)14-12-11-13-19(6)15-16-27-24(25)26-9/h10-12,14-15,17-18,21,23H,13,16H2,1-9H3/b12-11+,19-15+,20-10+,22-14+/t21-,23+/m1/s1
InChIKeyQRRVSNRRTPMYNX-ZMOGQDCOSA-N
MW420.67 g/mol
LogP6.89
Rot. Bonds8

About [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate

[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate (PubChem CID 101390397) has the molecular formula C24H40O4Si and a molecular weight of 420.67 g/mol. Its IUPAC name is [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate
PubChem CID101390397
Molecular FormulaC24H40O4Si
Molecular Weight420.67 g/mol
Exact Mass420.27
IUPAC Name[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate
SMILESC/C=C(\C)[C@@H]1O[Si](C(C)C)(C(C)C)/C(=C/C=C/C/C(C)=C/COC(=O)OC)[C@H]1C
InChIInChI=1S/C24H40O4Si/c1-10-20(7)23-21(8)22(29(28-23,17(2)3)18(4)5)14-12-11-13-19(6)15-16-27-24(25)26-9/h10-12,14-15,17-18,21,23H,13,16H2,1-9H3/b12-11+,19-15+,20-10+,22-14+/t21-,23+/m1/s1
InChIKeyQRRVSNRRTPMYNX-ZMOGQDCOSA-N
XLogP6.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate?
The IUPAC name of [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate (CID 101390397) is [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate.
What is the SMILES notation for [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate?
The canonical SMILES for [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate is C/C=C(\C)[C@@H]1O[Si](C(C)C)(C(C)C)/C(=C/C=C/C/C(C)=C/COC(=O)OC)[C@H]1C.
What is the InChIKey of [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate?
The InChIKey is QRRVSNRRTPMYNX-ZMOGQDCOSA-N. The full InChI is InChI=1S/C24H40O4Si/c1-10-20(7)23-21(8)22(29(28-23,17(2)3)18(4)5)14-12-11-13-19(6)15-16-27-24(25)26-9/h10-12,14-15,17-18,21,23H,13,16H2,1-9H3/b12-11+,19-15+,20-10+,22-14+/t21-,23+/m1/s1.
What are the key properties of [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate?
[(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate has a molecular weight of 420.67 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E,7E)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate is sourced from PubChem (CID 101390397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).