[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane

C15H22Si — CID 101414090

IUPAC[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
SMILES[2H][C@]1([Si](C)(C)c2ccccc2)C=CC[C@H](C)C1
InChIInChI=1S/C15H22Si/c1-13-8-7-11-15(12-13)16(2,3)14-9-5-4-6-10-14/h4-7,9-11,13,15H,8,12H2,1-3H3/t13-,15-/m0/s1/i15D
InChIKeyZRYAJQIYXWIPCI-LFMMGCGASA-N
MW231.43 g/mol
LogP3.96
Rot. Bonds2

About [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane

[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane (PubChem CID 101414090) has the molecular formula C15H22Si and a molecular weight of 231.43 g/mol. Its IUPAC name is [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
PubChem CID101414090
Molecular FormulaC15H22Si
Molecular Weight231.43 g/mol
Exact Mass231.16
IUPAC Name[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
SMILES[2H][C@]1([Si](C)(C)c2ccccc2)C=CC[C@H](C)C1
InChIInChI=1S/C15H22Si/c1-13-8-7-11-15(12-13)16(2,3)14-9-5-4-6-10-14/h4-7,9-11,13,15H,8,12H2,1-3H3/t13-,15-/m0/s1/i15D
InChIKeyZRYAJQIYXWIPCI-LFMMGCGASA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
CID 10608189
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
cyclopentyl-dimethyl-phenylsilane
CID 59962320
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
dimethyl-phenyl-[(1S,2R)-2-pyridin-3-ylcyclopropyl]silane
CID 134966228
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
cyclopropyl-[dimethyl(phenyl)silyl]methanethione
CID 10104902
(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
(3R,5R)-3-bromo-5-methylcyclohexene
CID 5325852
cis-(1R,3S)-3-[dimethyl(phenyl)silyl]cyclohexan-1-ol
CID 101053529

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The IUPAC name of [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane (CID 101414090) is [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane is [2H][C@]1([Si](C)(C)c2ccccc2)C=CC[C@H](C)C1.
What is the InChIKey of [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The InChIKey is ZRYAJQIYXWIPCI-LFMMGCGASA-N. The full InChI is InChI=1S/C15H22Si/c1-13-8-7-11-15(12-13)16(2,3)14-9-5-4-6-10-14/h4-7,9-11,13,15H,8,12H2,1-3H3/t13-,15-/m0/s1/i15D.
What are the key properties of [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
[(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane has a molecular weight of 231.43 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-deuterio-5-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 101414090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).