[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane

C16H24O2Si — CID 101214644

IUPAC[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCOc1ccc([C@@H]2C=C(O[Si](C)(C)C)CCC2)cc1
InChIInChI=1S/C16H24O2Si/c1-17-15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-19(2,3)4/h8-12,14H,5-7H2,1-4H3/t14-/m0/s1
InChIKeyMSVWESCWIDRGHQ-AWEZNQCLSA-N
MW276.45 g/mol
LogP4.70
Rot. Bonds4

About [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane

[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 101214644) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID101214644
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESCOc1ccc([C@@H]2C=C(O[Si](C)(C)C)CCC2)cc1
InChIInChI=1S/C16H24O2Si/c1-17-15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-19(2,3)4/h8-12,14H,5-7H2,1-4H3/t14-/m0/s1
InChIKeyMSVWESCWIDRGHQ-AWEZNQCLSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(3-thiophen-3-ylcyclohexen-1-yl)oxysilane
CID 10562803
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
[(3S)-3-(4-methoxyphenyl)cyclopenten-1-yl] trifluoromethanesulfonate
CID 156780570
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
CID 11207019
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
cyclohexyl-(4-methoxyphenoxy)-dimethylsilane
CID 532618

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane (CID 101214644) is [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane is COc1ccc([C@@H]2C=C(O[Si](C)(C)C)CCC2)cc1.
What is the InChIKey of [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is MSVWESCWIDRGHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-17-15-10-8-13(9-11-15)14-6-5-7-16(12-14)18-19(2,3)4/h8-12,14H,5-7H2,1-4H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane?
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 276.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101214644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).