[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol

C20H32O3Si — CID 132564594

IUPAC[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(COCCC2C(CO)C2/C(C)=C/[Si](C)(C)C)cc1
InChIInChI=1S/C20H32O3Si/c1-15(14-24(3,4)5)20-18(19(20)12-21)10-11-23-13-16-6-8-17(22-2)9-7-16/h6-9,14,18-21H,10-13H2,1-5H3/b15-14+
InChIKeyXIYDSEYTEMYNMY-CCEZHUSRSA-N
MW348.56 g/mol
LogP4.28
Rot. Bonds9

About [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol

[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol (PubChem CID 132564594) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
PubChem CID132564594
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(COCCC2C(CO)C2/C(C)=C/[Si](C)(C)C)cc1
InChIInChI=1S/C20H32O3Si/c1-15(14-24(3,4)5)20-18(19(20)12-21)10-11-23-13-16-6-8-17(22-2)9-7-16/h6-9,14,18-21H,10-13H2,1-5H3/b15-14+
InChIKeyXIYDSEYTEMYNMY-CCEZHUSRSA-N
XLogP4.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
CID 132564592
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
(1R,2R,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclobutan-1-ol
CID 25257173
(2S,3R)-2-(chloromethyl)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane
CID 102400251
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
CID 11149422
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methoxy]ethoxy]oxane-3,4,5-triol
CID 10088852

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The IUPAC name of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol (CID 132564594) is [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The canonical SMILES for [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol is COc1ccc(COCCC2C(CO)C2/C(C)=C/[Si](C)(C)C)cc1.
What is the InChIKey of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The InChIKey is XIYDSEYTEMYNMY-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-15(14-24(3,4)5)20-18(19(20)12-21)10-11-23-13-16-6-8-17(22-2)9-7-16/h6-9,14,18-21H,10-13H2,1-5H3/b15-14+.
What are the key properties of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol has a molecular weight of 348.56 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 132564594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).