(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane

C15H31IOSi — CID 57223556

IUPAC(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane
SMILESC=CCC(CCCC)CO[Si](C)(C)C(C)(C)CI
InChIInChI=1S/C15H31IOSi/c1-7-9-11-14(10-8-2)12-17-18(5,6)15(3,4)13-16/h8,14H,2,7,9-13H2,1,3-6H3
InChIKeyRXGTYFXQUZVNEB-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.81
Rot. Bonds10

About (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane

(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane (PubChem CID 57223556) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane.

Molecular Properties

Compound Name(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane
PubChem CID57223556
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane
SMILESC=CCC(CCCC)CO[Si](C)(C)C(C)(C)CI
InChIInChI=1S/C15H31IOSi/c1-7-9-11-14(10-8-2)12-17-18(5,6)15(3,4)13-16/h8,14H,2,7,9-13H2,1,3-6H3
InChIKeyRXGTYFXQUZVNEB-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.81
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 (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane?
The IUPAC name of (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane (CID 57223556) is (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane.
What is the SMILES notation for (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane?
The canonical SMILES for (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane is C=CCC(CCCC)CO[Si](C)(C)C(C)(C)CI.
What is the InChIKey of (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane?
The InChIKey is RXGTYFXQUZVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-7-9-11-14(10-8-2)12-17-18(5,6)15(3,4)13-16/h8,14H,2,7,9-13H2,1,3-6H3.
What are the key properties of (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane?
(1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane has a molecular weight of 382.40 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane is sourced from PubChem (CID 57223556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).