[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane

C20H28OSi — CID 68744008

IUPAC[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1ccccc1C1(C2=CC([Si](C)(C)C)C=C2)CCCC1
InChIInChI=1S/C20H28OSi/c1-21-19-10-6-5-9-18(19)20(13-7-8-14-20)16-11-12-17(15-16)22(2,3)4/h5-6,9-12,15,17H,7-8,13-14H2,1-4H3
InChIKeyUVDSQQTUGZEOKM-UHFFFAOYSA-N
MW312.53 g/mol
LogP5.71
Rot. Bonds4

About [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane

[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (PubChem CID 68744008) has the molecular formula C20H28OSi and a molecular weight of 312.53 g/mol. Its IUPAC name is [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
PubChem CID68744008
Molecular FormulaC20H28OSi
Molecular Weight312.53 g/mol
Exact Mass312.19
IUPAC Name[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1ccccc1C1(C2=CC([Si](C)(C)C)C=C2)CCCC1
InChIInChI=1S/C20H28OSi/c1-21-19-10-6-5-9-18(19)20(13-7-8-14-20)16-11-12-17(15-16)22(2,3)4/h5-6,9-12,15,17H,7-8,13-14H2,1-4H3
InChIKeyUVDSQQTUGZEOKM-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.53
LogP ≤ 55.71
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

1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
CID 11551348
1-(2-methoxyphenyl)-2-phenylcyclohexan-1-amine
CID 60798881
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
2-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 70486714
trans-(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 11122068
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
3-methoxy-3-(2-methoxyphenyl)piperidine
CID 83822639

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (CID 68744008) is [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is COc1ccccc1C1(C2=CC([Si](C)(C)C)C=C2)CCCC1.
What is the InChIKey of [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The InChIKey is UVDSQQTUGZEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OSi/c1-21-19-10-6-5-9-18(19)20(13-7-8-14-20)16-11-12-17(15-16)22(2,3)4/h5-6,9-12,15,17H,7-8,13-14H2,1-4H3.
What are the key properties of [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
[3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyphenyl)cyclopentyl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 68744008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).