2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H23BO3 — CID 147579700

IUPAC2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(9(2)13-7)12-14-10(3,4)11(5,6)15-12/h8-9H,1-7H3/t8-,9?/m0/s1
InChIKeyFWDYUJJFIYGCTI-IENPIDJESA-N
MW214.11 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 147579700) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID147579700
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-8(9(2)13-7)12-14-10(3,4)11(5,6)15-12/h8-9H,1-7H3/t8-,9?/m0/s1
InChIKeyFWDYUJJFIYGCTI-IENPIDJESA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 147579700) is 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(C)[C@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FWDYUJJFIYGCTI-IENPIDJESA-N. The full InChI is InChI=1S/C11H23BO3/c1-8(9(2)13-7)12-14-10(3,4)11(5,6)15-12/h8-9H,1-7H3/t8-,9?/m0/s1.
What are the key properties of 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 214.11 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-methoxybutan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 147579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).