tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane

C39H72O5Si — CID 157231278

About tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane

tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (PubChem CID 157231278) has the molecular formula C39H72O5Si and a molecular weight of 649.09 g/mol. Its IUPAC name is tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.

Molecular Properties

• Compound Name: tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
• PubChem CID: 157231278
• Molecular Formula: C39H72O5Si
• Molecular Weight: 649.09 g/mol
• Exact Mass: 648.51
• IUPAC Name: tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
• SMILES: C=CC[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)/C=C\[C@@H](C)C(C)C.C=CC[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42O3Si.C17H30O2/c1-12-13-19-20(24-22(8,9)23-19)17(3)15-14-16(2)18(4)25-26(10,11)21(5,6)7;1-8-9-15-16(19-17(6,7)18-15)14(5)11-10-13(4)12(2)3/h12,14-20H,1,13H2,2-11H3;8,10-16H,1,9H2,2-7H3/b15-14-;11-10-/t16-,17-,18+,19+,20-;13-,14-,15+,16-/m11/s1
• InChIKey: AUDBZQVHIIRKKR-IESIQCEQSA-N
• XLogP: 10.89
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.09
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?

The IUPAC name of tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (CID 157231278) is tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.

What is the SMILES notation for tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?

The canonical SMILES for tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane is C=CC[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)/C=C\[C@@H](C)C(C)C.C=CC[C@@H]1OC(C)(C)O[C@@H]1[C@H](C)/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?

The InChIKey is AUDBZQVHIIRKKR-IESIQCEQSA-N. The full InChI is InChI=1S/C22H42O3Si.C17H30O2/c1-12-13-19-20(24-22(8,9)23-19)17(3)15-14-16(2)18(4)25-26(10,11)21(5,6)7;1-8-9-15-16(19-17(6,7)18-15)14(5)11-10-13(4)12(2)3/h12,14-20H,1,13H2,2-11H3;8,10-16H,1,9H2,2-7H3/b15-14-;11-10-/t16-,17-,18+,19+,20-;13-,14-,15+,16-/m11/s1.

What are the key properties of tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?

tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane has a molecular weight of 649.09 g/mol, XLogP of 10.89, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane;(4R,5S)-4-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane is sourced from PubChem (CID 157231278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).