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

C20H32O3Si — CID 132564592

IUPAC[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(COCCC2(/C(C)=C/[Si](C)(C)C)CC2CO)cc1
InChIInChI=1S/C20H32O3Si/c1-16(15-24(3,4)5)20(12-18(20)13-21)10-11-23-14-17-6-8-19(22-2)9-7-17/h6-9,15,18,21H,10-14H2,1-5H3/b16-15+
InChIKeyQEFOCJGHLUGTTD-FOCLMDBBSA-N
MW348.56 g/mol
LogP4.42
Rot. Bonds9

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

[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol (PubChem CID 132564592) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
PubChem CID132564592
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(COCCC2(/C(C)=C/[Si](C)(C)C)CC2CO)cc1
InChIInChI=1S/C20H32O3Si/c1-16(15-24(3,4)5)20(12-18(20)13-21)10-11-23-14-17-6-8-19(22-2)9-7-17/h6-9,15,18,21H,10-14H2,1-5H3/b16-15+
InChIKeyQEFOCJGHLUGTTD-FOCLMDBBSA-N
XLogP4.42
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 ≤ 54.42
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

[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
CID 132564594
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
(2R,3S,5R,6S)-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,6-dimethyloxan-3-ol
CID 11305715
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxirane-2-carbaldehyde
CID 57060202
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
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The IUPAC name of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol (CID 132564592) is [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The canonical SMILES for [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol is COc1ccc(COCCC2(/C(C)=C/[Si](C)(C)C)CC2CO)cc1.
What is the InChIKey of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
The InChIKey is QEFOCJGHLUGTTD-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-16(15-24(3,4)5)20(12-18(20)13-21)10-11-23-14-17-6-8-19(22-2)9-7-17/h6-9,15,18,21H,10-14H2,1-5H3/b16-15+.
What are the key properties of [2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol?
[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol has a molecular weight of 348.56 g/mol, XLogP of 4.42, 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]-2-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 132564592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).