tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane

C15H27IOSi — CID 10571671

IUPACtert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C(/C)I)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-11-13(12(2)16)9-8-10-14(11)17-18(6,7)15(3,4)5/h14H,1,8-10H2,2-7H3/b13-12-/t14-/m0/s1
InChIKeyPSHSRJREXNNHHC-DINCDJDBSA-N
MW378.37 g/mol
LogP5.83
Rot. Bonds2

About tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane

tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 10571671) has the molecular formula C15H27IOSi and a molecular weight of 378.37 g/mol. Its IUPAC name is tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID10571671
Molecular FormulaC15H27IOSi
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Nametert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C(/C)I)CCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27IOSi/c1-11-13(12(2)16)9-8-10-14(11)17-18(6,7)15(3,4)5/h14H,1,8-10H2,2-7H3/b13-12-/t14-/m0/s1
InChIKeyPSHSRJREXNNHHC-DINCDJDBSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.37
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (CID 10571671) is tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C(/C)I)CCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is PSHSRJREXNNHHC-DINCDJDBSA-N. The full InChI is InChI=1S/C15H27IOSi/c1-11-13(12(2)16)9-8-10-14(11)17-18(6,7)15(3,4)5/h14H,1,8-10H2,2-7H3/b13-12-/t14-/m0/s1.
What are the key properties of tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 378.37 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 10571671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).