[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane

C15H31IOSi — CID 24998123

IUPAC[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@H](CCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-8-9-15(10-11-16)17-18(12(2)3,13(4)5)14(6)7/h8,12-15H,1,9-11H2,2-7H3/t15-/m1/s1
InChIKeyCALBLWPOTXLLBS-OAHLLOKOSA-N
MW382.40 g/mol
LogP5.95
Rot. Bonds9

About [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane

[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 24998123) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID24998123
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@H](CCI)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-8-9-15(10-11-16)17-18(12(2)3,13(4)5)14(6)7/h8,12-15H,1,9-11H2,2-7H3/t15-/m1/s1
InChIKeyCALBLWPOTXLLBS-OAHLLOKOSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane (CID 24998123) is [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane is C=CC[C@H](CCI)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CALBLWPOTXLLBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-8-9-15(10-11-16)17-18(12(2)3,13(4)5)14(6)7/h8,12-15H,1,9-11H2,2-7H3/t15-/m1/s1.
What are the key properties of [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 382.40 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 24998123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).