[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane

C14H24OSi — CID 54022486

IUPAC[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESC#CC1=C(C)C[C@@H](O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3/t12-/m1/s1
InChIKeyKZXBGDYVHZQXRD-GFCCVEGCSA-N
MW236.43 g/mol
LogP3.98
Rot. Bonds2

About [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane

[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane (PubChem CID 54022486) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
PubChem CID54022486
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
SMILESC#CC1=C(C)C[C@@H](O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3/t12-/m1/s1
InChIKeyKZXBGDYVHZQXRD-GFCCVEGCSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane (CID 54022486) is [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane is C#CC1=C(C)C[C@@H](O[Si](C)(C)C)CC1(C)C.
What is the InChIKey of [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane?
The InChIKey is KZXBGDYVHZQXRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24OSi/c1-8-13-11(2)9-12(10-14(13,3)4)15-16(5,6)7/h1,12H,9-10H2,2-7H3/t12-/m1/s1.
What are the key properties of [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane?
[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 54022486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).