cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H31BO3 — CID 159879745

IUPACcyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC1CCCC1.COCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3.C5H10/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5;1-2-4-5-3-1/h6-8H2,1-5H3;1-5H2
InChIKeyNTJMNICMMYRFCE-UHFFFAOYSA-N
MW270.22 g/mol
LogP4.07
Rot. Bonds4

About cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159879745) has the molecular formula C15H31BO3 and a molecular weight of 270.22 g/mol. Its IUPAC name is cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namecyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159879745
Molecular FormulaC15H31BO3
Molecular Weight270.22 g/mol
Exact Mass270.24
IUPAC Namecyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC1CCCC1.COCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3.C5H10/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5;1-2-4-5-3-1/h6-8H2,1-5H3;1-5H2
InChIKeyNTJMNICMMYRFCE-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Tert-butoxy)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101365439
4,4,5,5-Tetramethyl-2-(oxolan-3-yl)-1,3,2-dioxaborolane
CID 11148297
4,4,5,5-Tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane
CID 11367616
2-(3-Methoxyprop-1-yn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12174057
2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 21057643
2-(2-Methoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221144
4,4,5,5-Tetramethyl-2-(oxetan-3-yl)-1,3,2-dioxaborolane
CID 84223807
2-(3-Ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
2-[2-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913531
2-Cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13201843
2-(2-Fluoro-1-methoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173839737
2-(2-Butoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86018565

Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159879745) is cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C1CCCC1.COCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NTJMNICMMYRFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3.C5H10/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5;1-2-4-5-3-1/h6-8H2,1-5H3;1-5H2.
What are the key properties of cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 270.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159879745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).