(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane

C16H31IOSi — CID 54134550

IUPAC(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane
SMILESC=CCC(CC=CI)(CCCCCC)O[Si](C)(C)C
InChIInChI=1S/C16H31IOSi/c1-6-8-9-10-13-16(12-7-2,14-11-15-17)18-19(3,4)5/h7,11,15H,2,6,8-10,12-14H2,1,3-5H3
InChIKeyNWTDDEXLNWXLOM-UHFFFAOYSA-N
MW394.41 g/mol
LogP6.46
Rot. Bonds11

About (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane

(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane (PubChem CID 54134550) has the molecular formula C16H31IOSi and a molecular weight of 394.41 g/mol. Its IUPAC name is (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane
PubChem CID54134550
Molecular FormulaC16H31IOSi
Molecular Weight394.41 g/mol
Exact Mass394.12
IUPAC Name(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane
SMILESC=CCC(CC=CI)(CCCCCC)O[Si](C)(C)C
InChIInChI=1S/C16H31IOSi/c1-6-8-9-10-13-16(12-7-2,14-11-15-17)18-19(3,4)5/h7,11,15H,2,6,8-10,12-14H2,1,3-5H3
InChIKeyNWTDDEXLNWXLOM-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[(E)-1-iodo-4-methyloct-1-en-4-yl]oxysilane
CID 10959911
1-Iodo-4-methyl-4-[(trimethylsilyl)oxy]-1E-octene
CID 12786200
[(E,4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786201
[(E,4R)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786202
4-Trimethylsiloxy-4-vinyl-1-iodo-trans-1-octene
CID 12851283
[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
CID 12866485
1-Iodo-4-propadienyl-4-trimethylsilyloxy-trans-octene
CID 13039190
CID 19855444
CID 19855444
(E)-4-methyl-4-trimethylsilyloxy-1-tri-n-butylstannyl-1-nonene
CID 20442051
(E)-4-methyl-4-trimethylsilyloxy-1-tri-n-butylstannyl-1-decene
CID 20442068
[(E)-1-iodo-3-methyldec-1-en-3-yl]oxy-trimethylsilane
CID 20565038
(1-Iodo-4-methylnon-1-en-4-yl)oxy-trimethylsilane
CID 53725680

Frequently Asked Questions

What is the IUPAC name of (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane (CID 54134550) is (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane is C=CCC(CC=CI)(CCCCCC)O[Si](C)(C)C.
What is the InChIKey of (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane?
The InChIKey is NWTDDEXLNWXLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31IOSi/c1-6-8-9-10-13-16(12-7-2,14-11-15-17)18-19(3,4)5/h7,11,15H,2,6,8-10,12-14H2,1,3-5H3.
What are the key properties of (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane?
(1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane has a molecular weight of 394.41 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-4-prop-2-enyldec-1-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 54134550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).