(6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene

C98H180O13Si2 — CID 157438331

About (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene

(6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene (PubChem CID 157438331) has the molecular formula C98H180O13Si2 and a molecular weight of 1622.68 g/mol. Its IUPAC name is (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene.

Molecular Properties

• Compound Name: (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
• PubChem CID: 157438331
• Molecular Formula: C98H180O13Si2
• Molecular Weight: 1622.68 g/mol
• Exact Mass: 1621.30
• IUPAC Name: (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
• SMILES: C=C(CO)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H](C[C@@H](C)CCC=C(C)C)OC(C=C)OC.C=CC[C@H](O)C[C@@H](C)CCC=C(C)C.CC(C)=CCC[C@H](C)CC=O.CC(C)=CCC[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1.C[C@@H](CCC(O)C(C)(C)O)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C22H44O4Si.C20H38O3Si.C17H30O2.C16H26O2.C13H24O.C10H18O/c1-17(12-13-20(23)22(5,6)24)16-19-11-9-10-18(26-19)14-15-25-27(7,8)21(2,3)4;1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5;1-7-10-16(19-17(8-2)18-6)13-15(5)12-9-11-14(3)4;1-13(2)6-4-7-14(3)12-16-9-5-8-15(18-16)10-11-17;1-5-7-13(14)10-12(4)9-6-8-11(2)3;1-9(2)5-4-6-10(3)7-8-11/h9-10,17-20,23-24H,11-16H2,1-8H3;8-9,16,18-19,21H,2,10-15H2,1,3-7H3;7-8,11,15-17H,1-2,9-10,12-13H2,3-6H3;5-6,8,11,14-16H,4,7,9-10,12H2,1-3H3;5,8,12-14H,1,6-7,9-10H2,2-4H3;5,8,10H,4,6-7H2,1-3H3/t17-,18-,19-,20?;16-,18-,19-;15-,16-,17?;14-,15-,16-;12-,13-;10-/m000000/s1
• InChIKey: BRJFPZYLFPGHPY-ZPAOBHPISA-N
• XLogP: 25.72
• TPSA: 179.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 49
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1622.68
LogP ≤ 5	25.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?

The IUPAC name of (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene (CID 157438331) is (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene.

What is the SMILES notation for (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?

The canonical SMILES for (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene is C=C(CO)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H](C[C@@H](C)CCC=C(C)C)OC(C=C)OC.C=CC[C@H](O)C[C@@H](C)CCC=C(C)C.CC(C)=CCC[C@H](C)CC=O.CC(C)=CCC[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1.C[C@@H](CCC(O)C(C)(C)O)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?

The InChIKey is BRJFPZYLFPGHPY-ZPAOBHPISA-N. The full InChI is InChI=1S/C22H44O4Si.C20H38O3Si.C17H30O2.C16H26O2.C13H24O.C10H18O/c1-17(12-13-20(23)22(5,6)24)16-19-11-9-10-18(26-19)14-15-25-27(7,8)21(2,3)4;1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5;1-7-10-16(19-17(8-2)18-6)13-15(5)12-9-11-14(3)4;1-13(2)6-4-7-14(3)12-16-9-5-8-15(18-16)10-11-17;1-5-7-13(14)10-12(4)9-6-8-11(2)3;1-9(2)5-4-6-10(3)7-8-11/h9-10,17-20,23-24H,11-16H2,1-8H3;8-9,16,18-19,21H,2,10-15H2,1,3-7H3;7-8,11,15-17H,1-2,9-10,12-13H2,3-6H3;5-6,8,11,14-16H,4,7,9-10,12H2,1-3H3;5,8,12-14H,1,6-7,9-10H2,2-4H3;5,8,10H,4,6-7H2,1-3H3/t17-,18-,19-,20?;16-,18-,19-;15-,16-,17?;14-,15-,16-;12-,13-;10-/m000000/s1.

What are the key properties of (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?

(6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene has a molecular weight of 1622.68 g/mol, XLogP of 25.72, 49 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol;(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol;2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde;(3S)-3,7-dimethyloct-6-enal;(4S,6S)-6,10-dimethylundeca-1,9-dien-4-ol;(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene is sourced from PubChem (CID 157438331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).