[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane

C14H28OSi — CID 134905145

IUPAC[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1C[C@@H](C(C)(C)C)CC=C1O[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-11-10-12(14(2,3)4)8-9-13(11)15-16(5,6)7/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyAMJBRRDFPAWIKP-RYUDHWBXSA-N
MW240.46 g/mol
LogP4.81
Rot. Bonds2

About [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane

[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134905145) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134905145
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1C[C@@H](C(C)(C)C)CC=C1O[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-11-10-12(14(2,3)4)8-9-13(11)15-16(5,6)7/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1
InChIKeyAMJBRRDFPAWIKP-RYUDHWBXSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane (CID 134905145) is [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane is C[C@H]1C[C@@H](C(C)(C)C)CC=C1O[Si](C)(C)C.
What is the InChIKey of [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is AMJBRRDFPAWIKP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H28OSi/c1-11-10-12(14(2,3)4)8-9-13(11)15-16(5,6)7/h9,11-12H,8,10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane?
[(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-4-tert-butyl-6-methylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134905145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).