tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol

C73H124O7Si2 — CID 91540434

About tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol

tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol (PubChem CID 91540434) has the molecular formula C73H124O7Si2 and a molecular weight of 1169.96 g/mol. Its IUPAC name is tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol.

Molecular Properties

• Compound Name: tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol
• PubChem CID: 91540434
• Molecular Formula: C73H124O7Si2
• Molecular Weight: 1169.96 g/mol
• Exact Mass: 1168.89
• IUPAC Name: tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol
• SMILES: CCC(C)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/CC3C[C@@H](O[Si](C)(C)C(C)(C)C)C4(CO4)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)CC.CCC(O)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3C[C@@H](O)C4(CO4)[C@H](O)C3)CCCC21C)CC
• InChI: InChI=1S/C43H78O3Si2.C30H46O4/c1-16-41(10,17-2)27-19-18-21-32(3)35-25-26-36-34(22-20-28-42(35,36)11)24-23-33-29-37(45-47(12,13)39(4,5)6)43(31-44-43)38(30-33)46-48(14,15)40(7,8)9;1-5-29(33,6-2)17-8-7-10-21(3)24-14-15-25-23(11-9-16-28(24,25)4)13-12-22-18-26(31)30(20-34-30)27(32)19-22/h18-19,21,24,27,32-33,35-38H,16-17,20,22-23,25-26,28-31H2,1-15H3;7-8,10,12-13,17,21,24-27,31-33H,5-6,9,11,14-16,18-20H2,1-4H3/b21-18+,27-19+,34-24+;10-7+,17-8+,22-12-,23-13+/t32-,33?,35?,36?,37-,38-,42?,43?;21-,24?,25?,26-,27-,28?,30?/m11/s1
• InChIKey: HAXVACLVACBQOZ-LNFAHGPISA-N
• XLogP: 18.69
• TPSA: 104.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.96
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol?

The IUPAC name of tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol (CID 91540434) is tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol.

What is the SMILES notation for tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol?

The canonical SMILES for tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol is CCC(C)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/CC3C[C@@H](O[Si](C)(C)C(C)(C)C)C4(CO4)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)CC.CCC(O)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3C[C@@H](O)C4(CO4)[C@H](O)C3)CCCC21C)CC.

What is the InChIKey of tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol?

The InChIKey is HAXVACLVACBQOZ-LNFAHGPISA-N. The full InChI is InChI=1S/C43H78O3Si2.C30H46O4/c1-16-41(10,17-2)27-19-18-21-32(3)35-25-26-36-34(22-20-28-42(35,36)11)24-23-33-29-37(45-47(12,13)39(4,5)6)43(31-44-43)38(30-33)46-48(14,15)40(7,8)9;1-5-29(33,6-2)17-8-7-10-21(3)24-14-15-25-23(11-9-16-28(24,25)4)13-12-22-18-26(31)30(20-34-30)27(32)19-22/h18-19,21,24,27,32-33,35-38H,16-17,20,22-23,25-26,28-31H2,1-15H3;7-8,10,12-13,17,21,24-27,31-33H,5-6,9,11,14-16,18-20H2,1-4H3/b21-18+,27-19+,34-24+;10-7+,17-8+,22-12-,23-13+/t32-,33?,35?,36?,37-,38-,42?,43?;21-,24?,25?,26-,27-,28?,30?/m11/s1.

What are the key properties of tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol?

tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol has a molecular weight of 1169.96 g/mol, XLogP of 18.69, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-methylnona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane;(4R,8R)-6-[(2E)-2-[1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-oxaspiro[2.5]octane-4,8-diol is sourced from PubChem (CID 91540434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).