triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane

C19H37IO3Si — CID 163238505

IUPACtriethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane
SMILESC/C=C/[C@H](OCOC)C(C)(C)[C@H](C/C=C\I)O[Si](CC)(CC)CC
InChIInChI=1S/C19H37IO3Si/c1-8-13-17(22-16-21-7)19(5,6)18(14-12-15-20)23-24(9-2,10-3)11-4/h8,12-13,15,17-18H,9-11,14,16H2,1-7H3/b13-8+,15-12-/t17-,18-/m0/s1
InChIKeySINRPCRJYAFAAZ-ZDQQDTBJSA-N
MW468.49 g/mol
LogP6.31
Rot. Bonds13

About triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane

triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane (PubChem CID 163238505) has the molecular formula C19H37IO3Si and a molecular weight of 468.49 g/mol. Its IUPAC name is triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane
PubChem CID163238505
Molecular FormulaC19H37IO3Si
Molecular Weight468.49 g/mol
Exact Mass468.16
IUPAC Nametriethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane
SMILESC/C=C/[C@H](OCOC)C(C)(C)[C@H](C/C=C\I)O[Si](CC)(CC)CC
InChIInChI=1S/C19H37IO3Si/c1-8-13-17(22-16-21-7)19(5,6)18(14-12-15-20)23-24(9-2,10-3)11-4/h8,12-13,15,17-18H,9-11,14,16H2,1-7H3/b13-8+,15-12-/t17-,18-/m0/s1
InChIKeySINRPCRJYAFAAZ-ZDQQDTBJSA-N
XLogP6.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane (CID 163238505) is triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane is C/C=C/[C@H](OCOC)C(C)(C)[C@H](C/C=C\I)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane?
The InChIKey is SINRPCRJYAFAAZ-ZDQQDTBJSA-N. The full InChI is InChI=1S/C19H37IO3Si/c1-8-13-17(22-16-21-7)19(5,6)18(14-12-15-20)23-24(9-2,10-3)11-4/h8,12-13,15,17-18H,9-11,14,16H2,1-7H3/b13-8+,15-12-/t17-,18-/m0/s1.
What are the key properties of triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane?
triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane has a molecular weight of 468.49 g/mol, XLogP of 6.31, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z,4S,6S,7E)-1-iodo-6-(methoxymethoxy)-5,5-dimethylnona-1,7-dien-4-yl]oxysilane is sourced from PubChem (CID 163238505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).