3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane

C40H74O5Si3 — CID 91233561

About 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane

3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane (PubChem CID 91233561) has the molecular formula C40H74O5Si3 and a molecular weight of 719.28 g/mol. Its IUPAC name is 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

• Compound Name: 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane
• PubChem CID: 91233561
• Molecular Formula: C40H74O5Si3
• Molecular Weight: 719.28 g/mol
• Exact Mass: 718.48
• IUPAC Name: 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane
• SMILES: C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=C[C@H](CC(=C)C[C@H](C)C[C@@H]1CC=C[C@@H](CC#C[Si](C)(C)C)O1)OCOC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C40H74O5Si3/c1-18-37(44-47(14,15)39(4,5)6)38(45-48(16,17)40(7,8)9)26-20-23-35(42-31-41-10)29-32(2)28-33(3)30-36-24-19-22-34(43-36)25-21-27-46(11,12)13/h18-20,22-23,33-38H,1-2,24-26,28-31H2,3-17H3/t33-,34-,35+,36-,37-,38-/m0/s1
• InChIKey: OPUIXTQMVGTYDK-ZUQDGUHMSA-N
• XLogP: 11.24
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.28
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane?

The IUPAC name of 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane (CID 91233561) is 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane.

What is the SMILES notation for 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane?

The canonical SMILES for 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=C[C@H](CC(=C)C[C@H](C)C[C@@H]1CC=C[C@@H](CC#C[Si](C)(C)C)O1)OCOC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane?

The InChIKey is OPUIXTQMVGTYDK-ZUQDGUHMSA-N. The full InChI is InChI=1S/C40H74O5Si3/c1-18-37(44-47(14,15)39(4,5)6)38(45-48(16,17)40(7,8)9)26-20-23-35(42-31-41-10)29-32(2)28-33(3)30-36-24-19-22-34(43-36)25-21-27-46(11,12)13/h18-20,22-23,33-38H,1-2,24-26,28-31H2,3-17H3/t33-,34-,35+,36-,37-,38-/m0/s1.

What are the key properties of 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane?

3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 719.28 g/mol, XLogP of 11.24, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,6R)-2-[(2S,6S,10S,11S)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 91233561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).