[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane

C15H28OSi — CID 126970747

IUPAC[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane
SMILESC=C[C@]1(C)C=C(O[Si](C)(C)C(C)C)CC[C@H]1C
InChIInChI=1S/C15H28OSi/c1-8-15(5)11-14(10-9-13(15)4)16-17(6,7)12(2)3/h8,11-13H,1,9-10H2,2-7H3/t13-,15-/m1/s1
InChIKeyNOUZMKZADNMPDS-UKRRQHHQSA-N
MW252.47 g/mol
LogP5.12
Rot. Bonds4

About [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane

[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane (PubChem CID 126970747) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Name[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane
PubChem CID126970747
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane
SMILESC=C[C@]1(C)C=C(O[Si](C)(C)C(C)C)CC[C@H]1C
InChIInChI=1S/C15H28OSi/c1-8-15(5)11-14(10-9-13(15)4)16-17(6,7)12(2)3/h8,11-13H,1,9-10H2,2-7H3/t13-,15-/m1/s1
InChIKeyNOUZMKZADNMPDS-UKRRQHHQSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane?
The IUPAC name of [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane (CID 126970747) is [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane.
What is the SMILES notation for [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane?
The canonical SMILES for [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane is C=C[C@]1(C)C=C(O[Si](C)(C)C(C)C)CC[C@H]1C.
What is the InChIKey of [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane?
The InChIKey is NOUZMKZADNMPDS-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-15(5)11-14(10-9-13(15)4)16-17(6,7)12(2)3/h8,11-13H,1,9-10H2,2-7H3/t13-,15-/m1/s1.
What are the key properties of [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane?
[(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane has a molecular weight of 252.47 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-ethenyl-3,4-dimethylcyclohexen-1-yl]oxy-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 126970747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).