2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane

C18H33IO2Si — CID 90782381

IUPAC2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC=C(C)C[C@@H](OCOCC[Si](C)(C)C)[C@H](C)C=C(C)C=CI
InChIInChI=1S/C18H33IO2Si/c1-15(2)12-18(17(4)13-16(3)8-9-19)21-14-20-10-11-22(5,6)7/h8-9,13,17-18H,1,10-12,14H2,2-7H3/t17-,18-/m1/s1
InChIKeyHGKOBULIJFDFQN-QZTJIDSGSA-N
MW436.45 g/mol
LogP6.18
Rot. Bonds11

About 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 90782381) has the molecular formula C18H33IO2Si and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID90782381
Molecular FormulaC18H33IO2Si
Molecular Weight436.45 g/mol
Exact Mass436.13
IUPAC Name2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC=C(C)C[C@@H](OCOCC[Si](C)(C)C)[C@H](C)C=C(C)C=CI
InChIInChI=1S/C18H33IO2Si/c1-15(2)12-18(17(4)13-16(3)8-9-19)21-14-20-10-11-22(5,6)7/h8-9,13,17-18H,1,10-12,14H2,2-7H3/t17-,18-/m1/s1
InChIKeyHGKOBULIJFDFQN-QZTJIDSGSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane (CID 90782381) is 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane is C=C(C)C[C@@H](OCOCC[Si](C)(C)C)[C@H](C)C=C(C)C=CI.
What is the InChIKey of 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is HGKOBULIJFDFQN-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H33IO2Si/c1-15(2)12-18(17(4)13-16(3)8-9-19)21-14-20-10-11-22(5,6)7/h8-9,13,17-18H,1,10-12,14H2,2-7H3/t17-,18-/m1/s1.
What are the key properties of 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 436.45 g/mol, XLogP of 6.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R,5R)-9-iodo-2,5,7-trimethylnona-1,6,8-trien-4-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90782381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).