tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane

C15H31IOSi — CID 46197624

IUPACtert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)CI
InChIInChI=1S/C15H31IOSi/c1-12(10-16)9-13(2)14(3)11-17-18(7,8)15(4,5)6/h12-13H,3,9-11H2,1-2,4-8H3/t12-,13-/m0/s1
InChIKeySIQCJIACCMXBMH-STQMWFEESA-N
MW382.40 g/mol
LogP5.66
Rot. Bonds7

About tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane

tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane (PubChem CID 46197624) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
PubChem CID46197624
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Nametert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)CI
InChIInChI=1S/C15H31IOSi/c1-12(10-16)9-13(2)14(3)11-17-18(7,8)15(4,5)6/h12-13H,3,9-11H2,1-2,4-8H3/t12-,13-/m0/s1
InChIKeySIQCJIACCMXBMH-STQMWFEESA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.66
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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Related Compounds

tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147
tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
CID 135022885
tert-butyl-[(E,2R)-5-iodo-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 10882748
tert-butyl-[(5S)-5-(iodomethyl)oct-7-enoxy]-dimethylsilane
CID 14986653
Tert-butyl-[5-(iodomethyl)oct-7-enoxy]-dimethylsilane
CID 19874754
(1-Iodo-2-methylpropan-2-yl)-dimethyl-(2-prop-2-enylhexoxy)silane
CID 57223556
tert-butyl-[(E,5S)-1-iodo-5-methyloct-1-en-3-yl]oxy-dimethylsilane
CID 59972081
Tert-butyl-[4-(2-iodoethyl)hex-5-enoxy]-dimethylsilane
CID 11245582
tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane
CID 11776525
tert-butyl-[(4R)-4-(iodomethyl)hept-6-enoxy]-dimethylsilane
CID 102362430
tert-butyl-dimethyl-[[(1R,2S)-2-prop-1-en-2-ylcyclopropyl]methoxy]silane
CID 102463822
6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-6,7-dihydro-5H-oxasilepine
CID 121003831

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane (CID 46197624) is tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane is C=C(CO[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)CI.
What is the InChIKey of tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane?
The InChIKey is SIQCJIACCMXBMH-STQMWFEESA-N. The full InChI is InChI=1S/C15H31IOSi/c1-12(10-16)9-13(2)14(3)11-17-18(7,8)15(4,5)6/h12-13H,3,9-11H2,1-2,4-8H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane?
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane has a molecular weight of 382.40 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane is sourced from PubChem (CID 46197624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).