[(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate

C43H70O7Si — CID 11007085

About [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate

[(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate (PubChem CID 11007085) has the molecular formula C43H70O7Si and a molecular weight of 727.11 g/mol. Its IUPAC name is [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate.

Molecular Properties

• Compound Name: [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate
• PubChem CID: 11007085
• Molecular Formula: C43H70O7Si
• Molecular Weight: 727.11 g/mol
• Exact Mass: 726.49
• IUPAC Name: [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate
• SMILES: C=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)C[C@@H](/C=C/C[C@H](OC(=O)C=C)[C@H](/C=C/[C@@H]2CC(C)=CCO2)O[Si](C(C)C)(C(C)C)C(C)C)OCOC)O1
• InChI: InChI=1S/C43H70O7Si/c1-13-17-37-18-15-20-40(48-37)29-36(11)26-35(10)28-38(47-30-45-12)19-16-21-41(49-43(44)14-2)42(23-22-39-27-34(9)24-25-46-39)50-51(31(3)4,32(5)6)33(7)8/h13-16,18-19,22-24,31-33,36-42H,1-2,10,17,20-21,25-30H2,3-9,11-12H3/b19-16+,23-22+/t36-,37+,38+,39+,40-,41-,42-/m0/s1
• InChIKey: QCUABXOKWPMHMV-DNFUJFEPSA-N
• XLogP: 10.52
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.11
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate?

The IUPAC name of [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate (CID 11007085) is [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate.

What is the SMILES notation for [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate?

The canonical SMILES for [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate is C=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)C[C@@H](/C=C/C[C@H](OC(=O)C=C)[C@H](/C=C/[C@@H]2CC(C)=CCO2)O[Si](C(C)C)(C(C)C)C(C)C)OCOC)O1.

What is the InChIKey of [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate?

The InChIKey is QCUABXOKWPMHMV-DNFUJFEPSA-N. The full InChI is InChI=1S/C43H70O7Si/c1-13-17-37-18-15-20-40(48-37)29-36(11)26-35(10)28-38(47-30-45-12)19-16-21-41(49-43(44)14-2)42(23-22-39-27-34(9)24-25-46-39)50-51(31(3)4,32(5)6)33(7)8/h13-16,18-19,22-24,31-33,36-42H,1-2,10,17,20-21,25-30H2,3-9,11-12H3/b19-16+,23-22+/t36-,37+,38+,39+,40-,41-,42-/m0/s1.

What are the key properties of [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate?

[(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate has a molecular weight of 727.11 g/mol, XLogP of 10.52, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1E,3S,4S,6E,8S,12S)-8-(methoxymethoxy)-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidene-13-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-tri(propan-2-yl)silyloxytrideca-1,6-dien-4-yl] prop-2-enoate is sourced from PubChem (CID 11007085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).