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

C10H19BO2 — CID 74787913

IUPAC2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7-8H,1H2,2-6H3/t8-/m0/s1
InChIKeyKWHFZFUCSIXXFF-QMMMGPOBSA-N
MW182.07 g/mol
LogP2.65
Rot. Bonds2

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

2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 74787913) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID74787913
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7-8H,1H2,2-6H3/t8-/m0/s1
InChIKeyKWHFZFUCSIXXFF-QMMMGPOBSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(Z)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 57416198
2-[(1S)-1-chlorobut-3-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57122787
2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132601552
2-(1-bromoethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10399156
4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
CID 177451955
2-(1-iodobut-3-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86016097
4,4,5,5-tetramethyl-2-oct-1-en-3-yl-1,3,2-dioxaborolane
CID 132938680
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142436774
(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine
CID 154475486
4,4,5,5-tetramethyl-2-[(2R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 11347361
(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride
CID 153315417
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 74787913) is 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C[C@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KWHFZFUCSIXXFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7-8H,1H2,2-6H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 74787913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).