2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H27BO3 — CID 164653939

IUPAC2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC2CCCC2)c1
InChIInChI=1S/C18H27BO3/c1-13-10-11-15(16(12-13)20-14-8-6-7-9-14)19-21-17(2,3)18(4,5)22-19/h10-12,14H,6-9H2,1-5H3
InChIKeyFLITYYKWAQGOCO-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164653939) has the molecular formula C18H27BO3 and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164653939
Molecular FormulaC18H27BO3
Molecular Weight302.22 g/mol
Exact Mass302.21
IUPAC Name2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC2CCCC2)c1
InChIInChI=1S/C18H27BO3/c1-13-10-11-15(16(12-13)20-14-8-6-7-9-14)19-21-17(2,3)18(4,5)22-19/h10-12,14H,6-9H2,1-5H3
InChIKeyFLITYYKWAQGOCO-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-methyl-2-(4-methylcyclohexyl)oxyphenyl]-1,3,2-dioxaborolane
CID 157140206
2-(2-ethoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987094
2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138753069
6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 166595150
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
4,4,5,5-tetramethyl-2-(4-methyl-2-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 138987086
2-(2-bromo-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102128663
3-cyclobutyloxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90283498
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
2-[2-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140889304

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164653939) is 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(OC2CCCC2)c1.
What is the InChIKey of 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FLITYYKWAQGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BO3/c1-13-10-11-15(16(12-13)20-14-8-6-7-9-14)19-21-17(2,3)18(4,5)22-19/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 302.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164653939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).