(2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol

C40H81IO5Si2 — CID 11029206

About (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol

(2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol (PubChem CID 11029206) has the molecular formula C40H81IO5Si2 and a molecular weight of 825.16 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol.

Molecular Properties

• Compound Name: (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol
• PubChem CID: 11029206
• Molecular Formula: C40H81IO5Si2
• Molecular Weight: 825.16 g/mol
• Exact Mass: 824.47
• IUPAC Name: (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol
• SMILES: COCO[C@H]([C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\I)[C@@H](C)CO
• InChI: InChI=1S/C40H81IO5Si2/c1-26(2)47(27(3)4,28(5)6)45-38(33(14)20-21-41)34(15)22-32(13)23-35(16)40(37(18)39(36(17)24-42)44-25-43-19)46-48(29(7)8,30(9)10)31(11)12/h20-22,26-31,33-40,42H,23-25H2,1-19H3/b21-20-,32-22-/t33-,34-,35-,36-,37+,38-,39-,40+/m0/s1
• InChIKey: ISMLRCFJQFWNTE-AKJNATRTSA-N
• XLogP: 12.55
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 24
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.16
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	1
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol?

The IUPAC name of (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol (CID 11029206) is (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol.

What is the SMILES notation for (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol?

The canonical SMILES for (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol is COCO[C@H]([C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\I)[C@@H](C)CO.

What is the InChIKey of (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol?

The InChIKey is ISMLRCFJQFWNTE-AKJNATRTSA-N. The full InChI is InChI=1S/C40H81IO5Si2/c1-26(2)47(27(3)4,28(5)6)45-38(33(14)20-21-41)34(15)22-32(13)23-35(16)40(37(18)39(36(17)24-42)44-25-43-19)46-48(29(7)8,30(9)10)31(11)12/h20-22,26-31,33-40,42H,23-25H2,1-19H3/b21-20-,32-22-/t33-,34-,35-,36-,37+,38-,39-,40+/m0/s1.

What are the key properties of (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol?

(2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol has a molecular weight of 825.16 g/mol, XLogP of 12.55, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5R,6S,8Z,10S,11R,12S,13Z)-14-iodo-3-(methoxymethoxy)-2,4,6,8,10,12-hexamethyl-5,11-bis[tri(propan-2-yl)silyloxy]tetradeca-8,13-dien-1-ol is sourced from PubChem (CID 11029206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).