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

C15H29BO3 — CID 160544950

IUPAC[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
SMILESCC1(C)OB(CCCC2CCCC2CO)OC1(C)C
InChIInChI=1S/C15H29BO3/c1-14(2)15(3,4)19-16(18-14)10-6-9-12-7-5-8-13(12)11-17/h12-13,17H,5-11H2,1-4H3
InChIKeyYVEQHZJGKGDXTH-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.27
Rot. Bonds5

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

[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol (PubChem CID 160544950) has the molecular formula C15H29BO3 and a molecular weight of 268.21 g/mol. Its IUPAC name is [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
PubChem CID160544950
Molecular FormulaC15H29BO3
Molecular Weight268.21 g/mol
Exact Mass268.22
IUPAC Name[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol
SMILESCC1(C)OB(CCCC2CCCC2CO)OC1(C)C
InChIInChI=1S/C15H29BO3/c1-14(2)15(3,4)19-16(18-14)10-6-9-12-7-5-8-13(12)11-17/h12-13,17H,5-11H2,1-4H3
InChIKeyYVEQHZJGKGDXTH-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.27
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

1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
CID 101894308
(S)-cyclohexyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
CID 154718790
5-Octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 124007357
[1-Ethyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]cyclopentyl]methanol
CID 155793392
trans-(1R,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10013914
cis-(1S,2S)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 10105093
9-(Tetramethyl-1,3,2-dioxaborolan-2-yl)nonan-1-ol
CID 75486902
2-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 85092914
3-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentan-1-ol
CID 115035376
2-Ethyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 116179149
(3R)-5-octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 125479446
(3S)-5-octyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)tridecan-3-ol
CID 125479447

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol?
The IUPAC name of [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol (CID 160544950) is [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol?
The canonical SMILES for [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol is CC1(C)OB(CCCC2CCCC2CO)OC1(C)C.
What is the InChIKey of [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol?
The InChIKey is YVEQHZJGKGDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BO3/c1-14(2)15(3,4)19-16(18-14)10-6-9-12-7-5-8-13(12)11-17/h12-13,17H,5-11H2,1-4H3.
What are the key properties of [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol?
[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol has a molecular weight of 268.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]cyclopentyl]methanol is sourced from PubChem (CID 160544950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).