[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol

C16H31BO3 — CID 155793392

IUPAC[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol
SMILESCCC1(CO)CCC(CCB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H31BO3/c1-6-16(12-18)9-7-13(11-16)8-10-17-19-14(2,3)15(4,5)20-17/h13,18H,6-12H2,1-5H3
InChIKeyWMZCMEFDRSNPMU-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.66
Rot. Bonds5

About [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol

[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol (PubChem CID 155793392) has the molecular formula C16H31BO3 and a molecular weight of 282.23 g/mol. Its IUPAC name is [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol
PubChem CID155793392
Molecular FormulaC16H31BO3
Molecular Weight282.23 g/mol
Exact Mass282.24
IUPAC Name[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol
SMILESCCC1(CO)CCC(CCB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C16H31BO3/c1-6-16(12-18)9-7-13(11-16)8-10-17-19-14(2,3)15(4,5)20-17/h13,18H,6-12H2,1-5H3
InChIKeyWMZCMEFDRSNPMU-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
CID 160544950
[(3S,4R)-3-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
CID 161950270
[(3S,4S)-1-(hydroxymethyl)-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentyl]methanol
CID 177519663

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol (CID 155793392) is [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol is CCC1(CO)CCC(CCB2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol?
The InChIKey is WMZCMEFDRSNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO3/c1-6-16(12-18)9-7-13(11-16)8-10-17-19-14(2,3)15(4,5)20-17/h13,18H,6-12H2,1-5H3.
What are the key properties of [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol?
[1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol has a molecular weight of 282.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 155793392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).