5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol

C18H30O2Si — CID 155678995

IUPAC5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol
SMILESCCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(OC)c1
InChIInChI=1S/C18H30O2Si/c1-5-6-11-21(3,4)15-12-16(19)18(17(13-15)20-2)14-9-7-8-10-14/h12-14,19H,5-11H2,1-4H3
InChIKeyWKVNYGJWBHBRPZ-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.77
Rot. Bonds6

About 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol

5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol (PubChem CID 155678995) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol.

Molecular Properties

Compound Name5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol
PubChem CID155678995
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol
SMILESCCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(OC)c1
InChIInChI=1S/C18H30O2Si/c1-5-6-11-21(3,4)15-12-16(19)18(17(13-15)20-2)14-9-7-8-10-14/h12-14,19H,5-11H2,1-4H3
InChIKeyWKVNYGJWBHBRPZ-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol?
The IUPAC name of 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol (CID 155678995) is 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol.
What is the SMILES notation for 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol?
The canonical SMILES for 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol is CCCC[Si](C)(C)c1cc(O)c(C2CCCC2)c(OC)c1.
What is the InChIKey of 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol?
The InChIKey is WKVNYGJWBHBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-5-6-11-21(3,4)15-12-16(19)18(17(13-15)20-2)14-9-7-8-10-14/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol?
5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol has a molecular weight of 306.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(dimethyl)silyl]-2-cyclopentyl-3-methoxyphenol is sourced from PubChem (CID 155678995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).