tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

C15H28OSi — CID 10848449

IUPACtert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)C1
InChIInChI=1S/C15H28OSi/c1-8-13-9-12(2)10-14(11-13)16-17(6,7)15(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t12-,14+/m0/s1
InChIKeyQNKZRAKHOCYUMM-GXTWGEPZSA-N
MW252.47 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10848449) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID10848449
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)C1
InChIInChI=1S/C15H28OSi/c1-8-13-9-12(2)10-14(11-13)16-17(6,7)15(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t12-,14+/m0/s1
InChIKeyQNKZRAKHOCYUMM-GXTWGEPZSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl] acetate
CID 10511585
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
tert-butyl-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10499170
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
CID 11164051
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate
CID 101186446
2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 4593530
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
CID 11746757
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 10848449) is tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is C=CC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)C1.
What is the InChIKey of tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is QNKZRAKHOCYUMM-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-13-9-12(2)10-14(11-13)16-17(6,7)15(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t12-,14+/m0/s1.
What are the key properties of tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10848449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).