tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane

C18H35IOSi — CID 125497051

IUPACtert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
SMILESC#CCCCCCCCC[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IOSi/c1-7-8-9-10-11-12-13-14-15-17(16-19)20-21(5,6)18(2,3)4/h1,17H,8-16H2,2-6H3/t17-/m1/s1
InChIKeyXSJCFKVFBSOGKH-QGZVFWFLSA-N
MW422.47 g/mol
LogP6.57
Rot. Bonds11

About tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane (PubChem CID 125497051) has the molecular formula C18H35IOSi and a molecular weight of 422.47 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
PubChem CID125497051
Molecular FormulaC18H35IOSi
Molecular Weight422.47 g/mol
Exact Mass422.15
IUPAC Nametert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
SMILESC#CCCCCCCCC[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35IOSi/c1-7-8-9-10-11-12-13-14-15-17(16-19)20-21(5,6)18(2,3)4/h1,17H,8-16H2,2-6H3/t17-/m1/s1
InChIKeyXSJCFKVFBSOGKH-QGZVFWFLSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-1-ol
CID 121013901
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
CID 57407601
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoic acid
CID 135039835
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
CID 45101159

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane (CID 125497051) is tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane is C#CCCCCCCCC[C@H](CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane?
The InChIKey is XSJCFKVFBSOGKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H35IOSi/c1-7-8-9-10-11-12-13-14-15-17(16-19)20-21(5,6)18(2,3)4/h1,17H,8-16H2,2-6H3/t17-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane has a molecular weight of 422.47 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 125497051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).