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

C10H21BO3 — CID 21057643

IUPAC2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3
InChIKeyPKCAZCNJOALZSI-UHFFFAOYSA-N
MW200.09 g/mol
LogP2.12
Rot. Bonds4

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

2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 21057643) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID21057643
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Name2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3
InChIKeyPKCAZCNJOALZSI-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 21057643) is 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PKCAZCNJOALZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3.
What are the key properties of 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 200.09 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 21057643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).