[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane

C19H30O2Si — CID 101207669

IUPAC[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCOc1cccc(CC[C@]2(C)C=C(O[Si](C)(C)C)CCC2)c1
InChIInChI=1S/C19H30O2Si/c1-19(12-7-10-18(15-19)21-22(3,4)5)13-11-16-8-6-9-17(14-16)20-2/h6,8-9,14-15H,7,10-13H2,1-5H3/t19-/m1/s1
InChIKeyFAXULCMKVRUBAE-LJQANCHMSA-N
MW318.53 g/mol
LogP5.55
Rot. Bonds6

About [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane

[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 101207669) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID101207669
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCOc1cccc(CC[C@]2(C)C=C(O[Si](C)(C)C)CCC2)c1
InChIInChI=1S/C19H30O2Si/c1-19(12-7-10-18(15-19)21-22(3,4)5)13-11-16-8-6-9-17(14-16)20-2/h6,8-9,14-15H,7,10-13H2,1-5H3/t19-/m1/s1
InChIKeyFAXULCMKVRUBAE-LJQANCHMSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.55
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

2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
CID 58065884
1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
CID 10586534
1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene
CID 71380168
5-[(3-methoxyphenyl)methoxy]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 141105615
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-methoxy-3-propylbenzene
CID 14270128
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
6-[2-(3-methoxyphenyl)ethyl]-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254724
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
CID 135276645

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane (CID 101207669) is [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane is COc1cccc(CC[C@]2(C)C=C(O[Si](C)(C)C)CCC2)c1.
What is the InChIKey of [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is FAXULCMKVRUBAE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-19(12-7-10-18(15-19)21-22(3,4)5)13-11-16-8-6-9-17(14-16)20-2/h6,8-9,14-15H,7,10-13H2,1-5H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane?
[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 318.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).