2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H23BO3 — CID 90319033

IUPAC2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-6-13-9-7-8-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3
InChIKeyPGYBAAORJNOZDB-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.51
Rot. Bonds5

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

2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90319033) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90319033
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-6-13-9-7-8-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3
InChIKeyPGYBAAORJNOZDB-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.51
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-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy thiohypoiodite
CID 144675497
2-(4-chloro-4-diethoxyphosphorylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11439650
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl acetate
CID 154713057
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 90319311
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
4,4,5,5-tetramethyl-2-[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentyl]-1,3,2-dioxaborolane
CID 143087891
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
CID 163343032
ethane;1-ethoxybutane
CID 143206406
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 163353914

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90319033) is 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PGYBAAORJNOZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-6-13-9-7-8-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3.
What are the key properties of 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 214.11 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90319033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).